* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    165    243     464
    1     0 S   NP   _N1_     1    28.20402    94.94329   -19.55381
    2     1 S   H    _HN1     2     1.02776    80.10558   -91.66729
    3     1 S   H    _H1_     3     1.02960    90.28168    16.88418
    4     1 S   H    _H2_     4     1.02836    39.59753   133.92535
    5     1 S   CT   _CA1     5     1.50111   149.48160   150.92022
    6     5 S   HC   _HA1     6     1.09570   105.27852    47.80658
    7     5 S   CO3  _C1_     7     1.53838   112.25309   -72.51261
    8     7 S   O2Z  _O11     8     1.26366   115.02020   -46.14539
    9     7 S   O2Z  _O12     9     1.26233   114.92022   132.97838
   10     5 S   CT   _CB1    10     1.53078   107.42525   165.77962
   11    10 S   HC   HB11    11     1.09824   109.53468   -50.07212
   12    10 S   HC   HB12    12     1.09818   110.31871    66.48376
   13    10 S   CT   _CG1    13     1.53016   112.61983  -171.12206
   14    13 S   HC   HG11    14     1.09602   110.41983   -60.10820
   15    13 S   HC   HG12    15     1.09629   110.07452    59.14144
   16    13 S   C    _CD1    16     1.51788   112.19397   179.66196
   17    16 S   O    _OE1    17     1.22757   123.20801    -4.79220
   18    16 S   N    _N2_    18     1.38558   111.68080   174.82418
   19    18 S   H    _HN2    19     1.01605   119.26619     4.33314
   20    18 S   CT1  _CA2    20     1.45905   123.07109  -177.19949
   21    20 S   HC   _HA2    21     1.09619   109.41469    -2.77460
   22    20 S   C    _C2_    22     1.52516   106.08853  -120.96893
   23    22 S   O    _O2_    23     1.23029   122.42286   -42.21066
   24    20 S   CT   _CB2    32     1.53453   111.84940   120.04044
   25    24 S   HC   HB21    33     1.09466   109.69695    56.86571
   26    24 S   HC   HB22    34     1.09433   109.86102   175.72273
   27    22 S   N    _N3_    24     1.38357   113.05884   139.66092
   28    27 S   H    _HN3    25     1.01588   120.46600    -1.88450
   29    24 S   S    _SG2    35     1.82616   110.44848   -63.29039
   30    27 S   CT   _CA3    26     1.45402   122.30864   178.99400
   31    30 S   HC   HA31    27     1.09569   107.13000   -68.59864
   32    30 S   HC   HA32    28     1.09559   108.31636    47.71199
   33    29 S   CT   _C16    36     1.84341   101.93936  -176.35084
   34    30 S   CO3  _C3_    29     1.52848   114.36633   169.54236
   35    34 S   O2Z  _O31    30     1.26313   115.99530   -15.84643
   36    34 S   O2Z  _O32    31     1.26415   114.49181   164.30878
   37    33 S   CM   _C4_    37     1.52578   111.14378   178.04565
   38    33 S   CT   _C20    86     1.53822   110.59751   -60.74197
   39    38 S   HC   _H42    87     1.09498   111.77235    69.30966
   40    38 S   HC   _H43    88     1.09629   111.94979   -52.06165
   41    38 S   HC   _H44    89     1.09704   111.55950  -171.80791
   42    37 S   CMA  _C5_    38     1.35156   111.96978  -138.73305
   43    42 S   OM   _O22    39     1.25739   135.30389  -176.71723
   44    37 S   CT   _C24    75     1.51028   122.95412    48.04829
   45    44 S   HC   _H54    76     1.09793   109.52309   144.48393
   46    44 S   HC   _H55    77     1.09351   109.54451    30.17031
   47    42 S   CT   _C12    40     1.51444   110.24948     1.13729
   48    47 S   HC   _H31    41     1.09677   112.47403   137.25803
   49    47 S   HC   _H32    42     1.09770   109.88295  -101.10416
   50    44 S   CM   _C8_    78     1.50355   112.79076   -96.07512
   51    50 S   HC   _H30    79     1.08974   115.13065   -56.96951
   52    33 S   CT   _C15    43     1.55298   113.19160    64.83685
   53    52 S   HC   _H35    44     1.09710   111.69346   -92.29791
   54    50 S   CM   _C7_    80     1.34250   127.97856   124.22191
   55    54 S   HC   _H29    81     1.08864   117.10093   179.53522
   56    52 S   OS   _O26    45     1.44701   110.94115    29.76396
   57    54 S   CT   _C18    82     1.49359   127.99809    -0.60716
   58    57 S   HC   _H36    83     1.09445   109.65547  -120.45416
   59    57 S   HC   _H37    84     1.09165   113.64151     0.33572
   60    57 S   HC   _H38    85     1.09447   109.64303   121.06610
   61    56 S   CO4  _C11    46     1.35899   117.39054  -161.47831
   62    61 S   O    _O24    47     1.22234   126.93492    -5.05389
   63    61 S   C3T  _C14    48     1.48044   110.98034   175.82327
   64    63 S   HC   _H34    49     1.08660   112.66737    94.88997
   65    63 S   C3T  _C13    50     1.51592   119.45134   -49.67339
   66    65 S   HC   _H33    51     1.08600   116.58249    -3.60940
   67    63 S   C3T  _C17    52     1.52049   121.27746  -120.45971
   68    65 S   CM   _C6_    61     1.47109   119.22200   137.42329
   69    68 S   HC   _H28    62     1.08880   114.63113   -22.13284
   70    67 S   CT   _C21    53     1.50988   117.05046  -140.62865
   71    70 S   HC   _H45    54     1.09524   110.15541    90.89918
   72    70 S   HC   _H46    55     1.09504   112.62325   -28.92449
   73    70 S   HC   _H47    56     1.09507   110.29051  -149.72760
   74    67 S   CT   _C22    57     1.50945   119.75620     2.56476
   75    74 S   HC   _H48    58     1.09492   110.30239   -79.15543
   76    74 S   HC   _H49    59     1.09414   110.16699   161.58514
   77    74 S   HC   _H50    60     1.09496   112.50871    41.56077
   78    68 S   CM   _C9_    63     1.34754   126.56758   159.04595
   79    78 S   CO4  _C10    64     1.49320   116.87181   179.74207
   80    79 S   O    _O23    65     1.22291   124.64990     5.13351
   81    78 S   CT   _C19    71     1.50066   124.02194    -0.55848
   82    81 S   HC   _H39    72     1.09506   110.49191   117.62054
   83    81 S   HC   _H40    73     1.09507   110.47878  -121.97232
   84    81 S   HC   _H41    74     1.09323   112.61554    -2.25958
   85    79 S   OS   _O25    66     1.36055   109.71279  -174.91377
   86    85 S   CT   _C23    67     1.43081   115.40659   179.97202
   87    86 S   HC   _H51    68     1.09328   108.09377  -179.94405
   88    86 S   HC   _H52    69     1.09423   110.28927    61.36939
   89    86 S   HC   _H53    70     1.09424   110.29261   -61.26032
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   7   3   5   2   5   4   6   3   2   1   1   9   4  15   6
  15   6  11  11   3   7   3   2   1   3   2   1   1   8  10   3
   4   2   1   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    56    61    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    56    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    56  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    56    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    57    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    56    61  
   49    52    53    56  
   52    53    56  
   51    54    55    57    58    59    60  
   54    55    57  
   53    56    61    62    63  
   56    61  
   55    57    58    59    60  
   57    58    59    60  
   61    62    63    64    65    67  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    70    74    68  
   63    64    65    67  
   64    65    66    67    70    71    72    73    74    75    76    77    68    69    78  
   65    66    67    70    74    68  
   66    67    70    71    72    73    74    75    76    77    68    69    78    79    81  
   67    70    74    68    69    78  
   70    71    72    73    74    75    76    77    68    69    78  
   69    78    79    80    85    81    82    83    84    70    74  
   78    79    81  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    85    86    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   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  1.510
   33    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    61   214.000  1.327
   61    62   570.000  1.229
   61    63   290.000  1.496
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    67   260.000  1.509
   65    66   340.000  1.088
   65    67   260.000  1.509
   65    68   305.000  1.480
   67    70   275.000  1.510
   67    74   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   68    69   340.000  1.080
   68    78   549.000  1.340
   78    79   320.000  1.462
   78    81   317.000  1.510
   79    80   570.000  1.229
   79    85   214.000  1.327
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    61    83.00000  116.90000
   56    52    53    35.00000  109.50000
   56    61    62    83.00000  123.40000
   56    61    63    81.00000  111.40000
   61    63    64    40.00000  116.18000
   61    63    65    65.00000  117.18000
   61    63    67    65.00000  117.18000
   63    61    62    75.00000  121.36600
   63    65    66    37.50000  117.20000
   63    65    67    10.00000   60.00500
   63    65    68    60.00000  120.58800
   63    67    65    10.00000   60.00500
   63    67    70    60.00000  120.94000
   63    67    74    60.00000  120.94000
   65    63    64    37.50000  117.20000
   65    67    70    60.00000  120.94000
   65    67    74    60.00000  120.94000
   65    68    69    40.00000  117.24000
   65    68    78    55.00000  125.06700
   67    63    64    37.50000  117.20000
   67    63    65    10.00000   60.00500
   67    65    66    37.50000  117.20000
   67    70    71    45.00000  109.38400
   67    70    72    45.00000  109.38400
   67    70    73    45.00000  109.38400
   67    74    75    45.00000  109.38400
   67    74    76    45.00000  109.38400
   67    74    77    45.00000  109.38400
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   68    65    66    40.00000  112.45000
   68    65    67    60.00000  120.58800
   68    78    79    65.00000  118.96000
   68    78    81    70.00000  124.00000
   78    68    69    35.00000  120.00000
   78    79    80    80.00000  123.72100
   78    79    85    90.00000  111.29400
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    83.00000  116.90000
   85    79    80    83.00000  123.40000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    78    79    65.00000  116.34900
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   57    54    55    35.00000  117.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    56    61  -0.25900  1.0 1.0
   33    52    56    61  -0.47000 -1.0 2.0
   33    52    56    61   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56   0.61850  1.0 1.0
   37    33    52    56  -0.22750 -1.0 2.0
   37    33    52    56   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    56   0.61850  1.0 1.0
   42    47    52    56  -0.22750 -1.0 2.0
   42    47    52    56   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    56    61  -0.25900  1.0 1.0
   47    52    56    61  -0.47000 -1.0 2.0
   47    52    56    61   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    56    61    62   3.00000 -1.0 2.0
   52    56    61    63   1.63150  1.0 1.0
   52    56    61    63   2.92000 -1.0 2.0
   53    52    56    61   0.08050  1.0 3.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65   0.36750  1.0 3.0
   56    61    63    67   0.36750  1.0 3.0
   61    63    65    66   0.15000  1.0 3.0
   61    63   -65    67  -0.95700  1.0 1.0
   61    63   -65    67  -0.18200 -1.0 2.0
   61    63   -65    67   0.29450  1.0 3.0
   61    63    65    68  -0.98800  1.0 1.0
   61    63    65    68   0.48800 -1.0 2.0
   61    63    65    68   0.76800  1.0 3.0
   61    63   -67    65  -0.95700  1.0 1.0
   61    63   -67    65  -0.18200 -1.0 2.0
   61    63   -67    65   0.29450  1.0 3.0
   61    63    67    70  -0.95700  1.0 1.0
   61    63    67    70  -0.18200 -1.0 2.0
   61    63    67    70   0.29450  1.0 3.0
   61    63    67    74  -0.95700  1.0 1.0
   61    63    67    74  -0.18200 -1.0 2.0
   61    63    67    74   0.29450  1.0 3.0
   62    61    63    64   0.50000  1.0 3.0
   62    61    63    65   0.30150 -1.0 2.0
   62    61    63    67   0.30150 -1.0 2.0
   63    65   -67    70   0.07850  1.0 1.0
   63    65   -67    70  -0.03950 -1.0 2.0
   63    65   -67    70   0.67350  1.0 3.0
   63    65   -67    74   0.07850  1.0 1.0
   63    65   -67    74  -0.03950 -1.0 2.0
   63    65   -67    74   0.67350  1.0 3.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    78   0.09850  1.0 1.0
   63    65    68    78   0.15250 -1.0 2.0
   63    65    68    78  -0.50650  1.0 3.0
   63    67    70    71   0.15000  1.0 3.0
   63    67    70    72   0.15000  1.0 3.0
   63    67    70    73   0.15000  1.0 3.0
   63    67    74    75   0.15000  1.0 3.0
   63    67    74    76   0.15000  1.0 3.0
   63    67    74    77   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63   -65    67   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63   -67    65   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    67    74   0.15000  1.0 3.0
   65    63   -67    70   0.07850  1.0 1.0
   65    63   -67    70  -0.03950 -1.0 2.0
   65    63   -67    70   0.67350  1.0 3.0
   65    63   -67    74   0.07850  1.0 1.0
   65    63   -67    74  -0.03950 -1.0 2.0
   65    63   -67    74   0.67350  1.0 3.0
   65    67    70    71   0.15000  1.0 3.0
   65    67    70    72   0.15000  1.0 3.0
   65    67    70    73   0.15000  1.0 3.0
   65    67    74    75   0.15000  1.0 3.0
   65    67    74    76   0.15000  1.0 3.0
   65    67    74    77   0.15000  1.0 3.0
   65    68    78    79   7.00000 -1.0 2.0
   65    68    78    81   7.00000 -1.0 2.0
   66    65   -67    63   0.15000  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65    67    74   0.15000  1.0 3.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    78   0.00000  1.0 1.0
   67    63   -65    66   0.15000  1.0 3.0
   67    63   -65    68   0.34400  1.0 1.0
   67    63   -65    68   0.09450 -1.0 2.0
   67    63   -65    68   0.11100  1.0 3.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    78   0.09850  1.0 1.0
   67    65    68    78   0.15250 -1.0 2.0
   67    65    68    78  -0.50650  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   68    65   -67    63   0.34400  1.0 1.0
   68    65   -67    63   0.09450 -1.0 2.0
   68    65   -67    63   0.11100  1.0 3.0
   68    65    67    70   0.34400  1.0 1.0
   68    65    67    70   0.09450 -1.0 2.0
   68    65    67    70   0.11100  1.0 3.0
   68    65    67    74   0.34400  1.0 1.0
   68    65    67    74   0.09450 -1.0 2.0
   68    65    67    74   0.11100  1.0 3.0
   68    78    79    80   1.00000 -1.0 2.0
   68    78    79    85  -0.56150  1.0 1.0
   68    78    79    85   2.19150 -1.0 2.0
   68    78    81    82   0.00000  1.0 1.0
   68    78    81    83   0.00000  1.0 1.0
   68    78    81    84   0.00000  1.0 1.0
   69    68    78    79   7.00000 -1.0 2.0
   69    68    78    81   7.00000 -1.0 2.0
   78    79    85    86   2.00000 -1.0 2.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   79    85    86    87   0.08050  1.0 3.0
   79    85    86    88   0.08050  1.0 3.0
   79    85    86    89   0.08050  1.0 3.0
   80    79    85    86   3.00000 -1.0 2.0
   81    78    79    80  -0.64400  1.0 1.0
   81    78    79    80   0.26850 -1.0 2.0
   81    78    79    85  -0.15000  1.0 1.0
   81    78    79    85   0.89550 -1.0 2.0
   81    78    79    85  -0.06900  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    57   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    60   0.00000  1.0 1.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.33100  1.0 3.0
   55    54    57    60   0.33100  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  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    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   56    63    61    62  10.50000 -1.0 2.0
   65    69    68    78  15.00000 -1.0 2.0
   79    81    78    68  15.00000 -1.0 2.0
   78    85    79    80  10.50000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   57    55    54    50  15.00000 -1.0 2.0
END
