* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    118    185     343
    1     0 S   NP   _N1_     1    29.05916    97.98922   -20.40054
    2     1 S   H    _HN1     2     1.02950    64.84075    17.68610
    3     1 S   H    _H1_     3     1.02828    53.64147   156.10011
    4     1 S   H    _H2_     4     1.02783    90.96465   -92.23037
    5     1 S   CT   _CA1     5     1.50112   156.12002   101.37781
    6     5 S   HC   _HA1     6     1.09574   105.17134   103.84990
    7     5 S   CO3  _C1_     7     1.53731   112.52598   -16.34633
    8     7 S   O2Z  _O11     8     1.26368   114.91117   -41.04813
    9     7 S   O2Z  _O12     9     1.26245   114.92218   138.02319
   10     5 S   CT   _CB1    10     1.53064   107.43212  -138.15592
   11    10 S   HC   HB11    11     1.09834   109.25245   -49.89349
   12    10 S   HC   HB12    12     1.09813   110.51311    66.70892
   13    10 S   CT   _CG1    13     1.52986   112.61913  -170.88307
   14    13 S   HC   HG11    14     1.09600   110.66605   -68.44197
   15    13 S   HC   HG12    15     1.09676   109.73453    50.78400
   16    13 S   C    _CD1    16     1.51818   112.13841   171.21077
   17    16 S   O    _OE1    17     1.22730   123.26937    10.80542
   18    16 S   N    _N2_    18     1.38597   111.65956  -169.40916
   19    18 S   H    _HN2    19     1.01584   118.91246     1.26145
   20    18 S   CT1  _CA2    20     1.46292   123.54224   177.24324
   21    20 S   HC   _HA2    21     1.09733   109.43672     1.27057
   22    20 S   C    _C2_    22     1.53524   108.59289  -114.20995
   23    22 S   O    _O2_    23     1.23047   122.31557  -148.85629
   24    20 S   CT   _CB2    32     1.53239   111.15408   123.42557
   25    24 S   HC   HB21    33     1.09564   109.60397    54.64831
   26    24 S   HC   HB22    34     1.09484   110.79425   173.56849
   27    22 S   N    _N3_    24     1.38338   113.66025    38.66904
   28    27 S   H    _HN3    25     1.01587   119.54508    -3.43057
   29    24 S   S    _SG2    35     1.82814   111.01687   -67.09154
   30    27 S   CT   _CA3    26     1.45280   123.25399   177.11581
   31    30 S   HC   HA31    27     1.09549   107.51351   -64.63079
   32    30 S   HC   HA32    28     1.09555   107.98955    51.82107
   33    29 S   CT   _C18    36     1.83598    99.95992   147.36008
   34    33 S   HC   _H3_    37     1.09551   109.76624   -42.30865
   35    30 S   CO3  _C3_    29     1.52966   114.04812   173.80919
   36    35 S   O2Z  _O31    30     1.26383   116.06032    -0.70693
   37    35 S   O2Z  _O32    31     1.26427   114.41629   179.35290
   38    33 S   CM   _C14    38     1.51656   109.61629  -162.29016
   39    38 S   CM   _C13    39     1.46769   115.15629    73.11605
   40    38 S   CMA  _C15    56     1.35768   123.22327  -108.38502
   41    40 S   OM   _O17    57     1.26229   131.80926  -178.77779
   42    39 S   CM   _C11    40     1.34219   122.47879  -113.46265
   43    42 S   HC   _H28    41     1.08324   123.48506    -0.04846
   44    39 S   CO4  _C12    52     1.48957   120.44400    66.53392
   45    44 S   O    _O18    53     1.22477   122.65294     1.50337
   46    40 S   CM   _C10    58     1.46154   118.26368     1.33677
   47    46 S   HC   _H27    59     1.09108   118.19927   172.81026
   48    42 S   OS   _O20    42     1.37272   127.04485   179.74666
   49    46 S   CM   _C16    60     1.33973   124.81425    -7.65145
   50    48 S   CA   _C8_    43     1.37088   117.59067    -0.50706
   51    33 S   CO4  _C17    61     1.52229   108.02524    73.77010
   52    51 S   O    _O19    62     1.23192   121.46598   -77.51931
   53    49 S   OS   _O22    63     1.38113   121.31828  -177.01246
   54    50 S   CA   _C6_    44     1.39445   117.19346  -179.80317
   55    54 S   HA   _H26    45     1.08654   120.42708     0.25641
   56    53 S   CT   _C19    64     1.42595   111.00763  -112.90020
   57    56 S   HC   _H30    65     1.09404   107.86258   173.70368
   58    56 S   HC   _H31    66     1.09575   111.06619    55.43595
   59    56 S   HC   _H32    67     1.09437   111.47598   -67.97156
   60    54 S   CA   _C9_    46     1.39282   119.37120   179.80021
   61    60 S   CA   _C5_    47     1.39442   120.91691    -0.05234
   62    61 S   HA   _H25    48     1.08604   120.89783  -179.81443
   63    60 S   OH   _O21    54     1.36657   118.13043  -179.98022
   64    63 S   HO   _H33    55     0.97216   108.51712   175.00872
   65    61 S   CA   _C4_    49     1.39555   119.59801     0.28116
   66    65 S   HA   _H24    50     1.08661   119.18320   179.78511
   67    50 S   CA   _C7_    51     1.39458   122.67866     0.30132
  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   8   5   4   3
  12   6   2   1   1  14  12   8   3   7   3   8   3   6   3   6
   7   8   3   1   4   8   4   3   2   1   1   7   6   4   2   1
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    51    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    40    41    46    49    51    52    53  
   38    39    40    49    51    52  
   36    37  
   37  
    0  
   39    42    43    48    67    44    45    40    41    46    47    49    51    52  
   42    43    48    50    65    67    44    45    40    41    46    51  
   41    46    47    49    51    53    42    44  
   46    47    49  
   43    48    50    54    67    44    45  
   48    50    44  
   45    48    50    54    61    65    66    67  
   50    65    67  
   47    49    51    52    53    56  
   49    51    53  
   50    54    55    60    65    67  
   51    52    53    56    57    58    59  
   54    55    60    61    65    66    67    63  
   52    53    56  
   53  
   56    57    58    59  
   55    60    61    62    65    67    63    64  
   60    61    67    63  
   57    58    59  
   58    59  
   59  
    0  
   61    62    65    66    67    63    64  
   62    65    66    67    63    64  
   65    66    67    63  
   64    65  
    0  
   66    67  
   67  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    51   317.000  1.522
   38    39   380.000  1.444
   38    40   465.000  1.376
   39    42   549.000  1.340
   39    44   320.000  1.462
   42    43   340.000  1.080
   42    48   440.000  1.360
   48    50   450.000  1.364
   50    54   469.000  1.400
   50    67   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    44   310.000  1.470
   44    45   570.000  1.229
   63    64   553.000  0.945
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    51   320.000  1.462
   49    53   440.000  1.360
   51    52   570.000  1.229
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  110.18000
   33    38    39    60.00000  124.00000
   33    38    40    70.00000  124.00000
   33    51    49    65.00000  118.62400
   33    51    52    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    42    60.00000  124.00000
   38    39    44    60.00000  124.00000
   38    40    41    65.00000  137.10300
   38    40    46    70.00000  123.01800
   39    42    43    35.00000  120.00000
   39    42    48    80.00000  120.01400
   39    44    67    65.00000  117.02400
   39    44    45    80.00000  123.72100
   42    48    50    90.00000  114.30300
   48    42    43    55.00000  109.52600
   48    50    54    70.00000  120.00000
   48    50    67    70.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    60    63.00000  120.00000
   50    67    65    63.00000  120.00000
   50    67    44    60.00000  119.52600
   54    60    61    63.00000  120.00000
   54    60    63    70.00000  120.00000
   60    54    55    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    35.00000  120.00000
   61    65    67    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    67    44    60.00000  119.52600
   67    50    54    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    44    45    75.00000  123.78400
   44    39    42    65.00000  118.96000
   63    60    61    70.00000  120.00000
   40    38    39    60.00000  124.00000
   40    46    47    40.00000  120.50800
   40    46    49    70.00000  117.34000
   46    40    41    65.00000  137.10300
   46    49    51    65.00000  118.96000
   46    49    53    80.00000  120.01400
   49    46    47    35.00000  120.00000
   49    51    52    80.00000  123.72100
   49    53    56    90.00000  111.18400
   51    33    34    35.00000  109.50000
   51    33    38    70.00000  109.06800
   53    49    51    85.00000  116.28000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    49   0.65300  1.0 1.0
   29    33    51    49  -0.03850 -1.0 2.0
   29    33    51    49   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    39    44   1.08500 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    46   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    49   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    49   0.65300  1.0 1.0
   38    33    51    49  -0.03850 -1.0 2.0
   38    33    51    49   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39    42    48   7.00000 -1.0 2.0
   38    39    44    67  -1.65800  1.0 1.0
   38    39    44    67   0.77650 -1.0 2.0
   38    39    44    45   1.00000 -1.0 2.0
   38    40    46    47   7.00000 -1.0 2.0
   38    40   -46    49   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    46   7.00000 -1.0 2.0
   39    42    48    50   2.00000 -1.0 2.0
   42    39    44    67  -1.65800  1.0 1.0
   42    39    44    67   0.77650 -1.0 2.0
   42    39    44    45   1.00000 -1.0 2.0
   42    48    50    54   0.00000  1.0 1.0
   42    48   -50    67   0.00000  1.0 1.0
   43    42    48    50   0.50000 -1.0 2.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    60   3.62500 -1.0 2.0
   48    50    67    65   3.62500 -1.0 2.0
   48    50    67    44   3.62500 -1.0 2.0
   50    54    60    61   3.62500 -1.0 2.0
   50    54    60    63   3.62500 -1.0 2.0
   50    67   -44    39  -0.11500  1.0 1.0
   50    67   -44    39   1.10450 -1.0 2.0
   50    67   -44    39  -0.48050  1.0 3.0
   50    67    44    45   1.05000 -1.0 2.0
   54    50    67    65   3.62500 -1.0 2.0
   54    50    67    44   3.62500 -1.0 2.0
   54    60    61    62   3.62500 -1.0 2.0
   54    60   -61    65   3.62500 -1.0 2.0
   54    60    63    64   0.84100 -1.0 2.0
   55    54    60    61   3.62500 -1.0 2.0
   55    54    60    63   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   60    61    65    67   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65   -67    50   3.62500 -1.0 2.0
   61    65    67    44   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    67   3.62500 -1.0 2.0
   65    67    44    39  -0.11500  1.0 1.0
   65    67    44    39   1.10450 -1.0 2.0
   65    67    44    39  -0.48050  1.0 3.0
   65    67    44    45   1.05000 -1.0 2.0
   66    65    67    50   3.62500 -1.0 2.0
   66    65    67    44   3.62500 -1.0 2.0
   67    50    54    55   3.62500 -1.0 2.0
   67    50   -54    60   3.62500 -1.0 2.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39   -42    48   7.00000 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   40    38    39    42   0.28850  1.0 1.0
   40    38    39    42   2.61350 -1.0 2.0
   40    38    39    42   0.78400  1.0 3.0
   40    38    39    44  -0.18600  1.0 3.0
   40    46    49    51   7.00000 -1.0 2.0
   40    46    49    53   7.00000 -1.0 2.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    49   7.00000 -1.0 2.0
   46    49   -51    33  -0.33500  1.0 1.0
   46    49   -51    33   1.06600 -1.0 2.0
   46    49   -51    33  -0.14000  1.0 3.0
   46    49    51    52   1.00000 -1.0 2.0
   46    49    53    56  -2.26850  1.0 1.0
   46    49    53    56   3.39050 -1.0 2.0
   47    46    49    51   7.00000 -1.0 2.0
   47    46    49    53   7.00000 -1.0 2.0
   49    53    56    57   0.08050  1.0 3.0
   49    53    56    58   0.08050  1.0 3.0
   49    53    56    59   0.08050  1.0 3.0
   51    33    38    39  -0.51250  1.0 1.0
   51    33    38    39  -0.88800 -1.0 2.0
   51    33    38    39   0.08850  1.0 3.0
   51    33   -38    40  -0.51250  1.0 1.0
   51    33   -38    40  -0.88800 -1.0 2.0
   51    33   -38    40   0.08850  1.0 3.0
   51    49    53    56   0.15100 -1.0 2.0
   53    49    51    33   0.32450 -1.0 2.0
   53    49    51    33   0.17400  1.0 3.0
   53    49    51    52  -0.11900  1.0 1.0
   53    49    51    52   0.76850 -1.0 2.0
   53    49    51    52   0.14100  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   38    44    39    42   1.10000 -1.0 2.0
   48    43    42    39   1.10000 -1.0 2.0
   54    67    50    48   4.00000 -1.0 2.0
   60    55    54    50   1.10000 -1.0 2.0
   61    63    60    54   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   67    66    65    61   1.10000 -1.0 2.0
   65    44    67    50   4.00000 -1.0 2.0
   39    67    44    45  10.50000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   40    47    46    49   1.10000 -1.0 2.0
   51    53    49    46   1.10000 -1.0 2.0
   33    49    51    52  10.50000 -1.0 2.0
END
