* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    111    170     321
    1     0 S   NP   _N1_     1    29.51879    98.18871   -21.74782
    2     1 S   H    _HN1     2     1.02849    64.06334     2.48231
    3     1 S   H    _H1_     3     1.02944    47.42703   156.53064
    4     1 S   H    _H2_     4     1.02807   103.34125  -101.55393
    5     1 S   CT   _CA1     5     1.50485   143.45485    93.76579
    6     5 S   HC   _HA1     6     1.09597   104.46341   107.23936
    7     5 S   CO3  _C1_     7     1.54248   110.85381    -8.85903
    8     7 S   O2Z  _O11     8     1.26017   116.66925  -113.59361
    9     7 S   O2Z  _O12     9     1.26557   113.84873    65.17630
   10     5 S   CT   _CB1    10     1.53030   107.02201  -136.95763
   11    10 S   HC   HB11    11     1.09855   109.61676   -44.35346
   12    10 S   HC   HB12    12     1.09777   110.34792    72.16916
   13    10 S   CT   _CG1    13     1.53105   112.59034  -164.94481
   14    13 S   HC   HG11    14     1.09455   111.08079   -63.39742
   15    13 S   HC   HG12    15     1.09671   109.72608    55.86751
   16    13 S   C    _CD1    16     1.51824   111.74125   176.06368
   17    16 S   O    _OE1    17     1.22771   123.16705     8.57565
   18    16 S   N    _N2_    18     1.38632   111.99109  -171.30801
   19    18 S   H    _HN2    19     1.01642   118.98240     1.24788
   20    18 S   CT1  _CA2    20     1.46250   123.06696   176.03508
   21    20 S   HC   _HA2    21     1.09725   109.42176     2.36992
   22    20 S   C    _C2_    22     1.53541   108.64503  -113.05105
   23    22 S   O    _O2_    23     1.23052   122.24666  -149.36942
   24    20 S   CT   _CB2    32     1.53173   111.67137   124.51415
   25    24 S   HC   HB21    33     1.09645   109.98470    57.63324
   26    24 S   HC   HB22    34     1.09545   110.51759   175.44112
   27    22 S   N    _N3_    24     1.38288   113.76394    37.80115
   28    27 S   H    _HN3    25     1.01581   119.54271    -2.78853
   29    24 S   S    _SG2    35     1.83171   111.73928   -65.81449
   30    27 S   CT   _CA3    26     1.45279   123.31766   177.63967
   31    30 S   HC   HA31    27     1.09535   107.38824   -69.68246
   32    30 S   HC   HA32    28     1.09555   108.20336    46.86214
   33    29 S   CA   _C13    36     1.78958    99.01090   124.98280
   34    30 S   CO3  _C3_    29     1.52955   113.95806   169.01174
   35    34 S   O2Z  _O31    30     1.26376   116.03134     1.55268
   36    34 S   O2Z  _O32    31     1.26408   114.42722  -178.34495
   37    33 S   CA   _C12    37     1.40085   118.23259   -98.63565
   38    37 S   F    _F21    38     1.34331   119.69322    -2.64812
   39    37 S   CA   _C11    39     1.39838   121.30259   176.45116
   40    39 S   CA   _C14    40     1.39487   119.53737     3.47649
   41    40 S   Cl   CL23    41     1.72570   121.21439   178.57262
   42    39 S   OS   _O19    46     1.37487   121.16182  -179.37630
   43    40 S   CA   _C7_    42     1.39560   119.99536    -2.13387
   44    43 S   HA   _H28    43     1.08829   119.86654  -179.53987
   45    42 S   CA   _C10    47     1.38081   118.11389    60.85352
   46    33 S   CA   _C15    44     1.40414   123.34835    80.45307
   47    46 S   Cl   CL24    45     1.73116   122.25901     1.55255
   48    45 S   CA   _C5_    48     1.39893   115.47444  -156.29067
   49    48 S   HA   _H26    49     1.08730   120.25651     1.40361
   50    48 S   CA   _C4_    50     1.39389   120.32628  -179.25087
   51    50 S   HA   _H25    51     1.08715   119.36582  -178.85534
   52    50 S   CA   _C9_    52     1.39665   119.11502    -0.26688
   53    52 S   CA   _C8_    53     1.39943   121.49943     0.88404
   54    52 S   NO2  _N15    63     1.44623   117.30452  -177.24757
   55    54 S   ON   _O16    64     1.23770   117.04253   -60.10084
   56    54 S   ON   _O18    65     1.23783   117.10332   119.22785
   57    45 S   CA   _C6_    54     1.40209   124.40528    26.10381
   58    57 S   HA   _H27    55     1.08692   120.47059     1.04867
   59    53 S   CO4  _C16    56     1.47683   122.27844   177.48674
   60    59 S   O    _O17    57     1.21890   123.72708   -43.16827
   61    59 S   OS   _O20    58     1.35759   108.56667   135.44212
   62    61 S   CT   _C17    59     1.43125   115.25578  -179.33383
   63    62 S   HC   _H29    60     1.09269   108.04508  -164.56823
   64    62 S   HC   _H30    61     1.09358   109.58225    76.81199
   65    62 S   HC   _H31    62     1.09453   111.24765   -45.89245
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1   9   4   9   7   4   8   3   2   9   1   1   8
   4   8   3   9   9   4   1   1   4   1   6   2   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    46    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    43    44    46    47    42  
   35    36  
   36  
    0  
   38    39    40    41    43    46    47    42    45  
   39    40    46    42  
   40    41    43    44    46    42    45    48    57  
   41    43    44    46    47    42    45  
   43    44    46    42  
   45    48    49    50    53    57    58    43  
   44    46    47  
   46    47  
   48    49    50    51    52    53    57    58    59  
   47  
    0  
   49    50    51    52    53    57    58    54  
   50    51    52    57  
   51    52    53    57    59    54    55    56  
   52    53    54  
   53    57    58    59    60    61    54    55    56  
   57    58    59    60    61    62    54    55    56  
   55    56    57    59  
   56  
    0  
   58    59    60    61  
   59  
   60    61    62    63    64    65  
   61    62  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   38   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   39   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   42   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   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   250.000  1.760
   33    37   469.000  1.400
   33    46   469.000  1.400
   37    38   420.000  1.354
   37    39   469.000  1.400
   39    40   469.000  1.400
   39    42   450.000  1.364
   40    41   300.000  1.725
   40    43   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   300.000  1.725
   42    45   450.000  1.364
   45    48   469.000  1.400
   45    57   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    54   400.000  1.460
   53    57   469.000  1.400
   53    59   310.000  1.470
   57    58   367.000  1.080
   59    60   570.000  1.229
   59    61   214.000  1.327
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   550.000  1.225
   54    56   550.000  1.225
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    46    85.00000  119.40000
   33    37    38    80.00000  120.00000
   33    37    39    63.00000  120.00000
   33    46    43    63.00000  120.00000
   33    46    47    75.00000  120.00000
   37    39    40    63.00000  120.00000
   37    39    42    70.00000  120.00000
   39    37    38    80.00000  120.00000
   39    40    41    75.00000  120.00000
   39    40    43    63.00000  120.00000
   39    42    45    85.00000  114.70000
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   43    40    41    75.00000  120.00000
   43    46    47    75.00000  120.00000
   46    33    37    63.00000  120.00000
   46    43    44    35.00000  120.00000
   42    39    40    70.00000  120.00000
   42    45    48    70.00000  120.00000
   42    45    57    70.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    57    53    63.00000  120.00000
   45    57    58    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    54    85.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    57    63.00000  120.00000
   52    53    59    60.00000  119.52600
   52    54    55    80.00000  117.50000
   52    54    56    80.00000  117.50000
   53    57    58    35.00000  120.00000
   53    59    60    75.00000  123.78400
   53    59    61    81.00000  111.40000
   57    45    48    63.00000  120.00000
   59    53    57    60.00000  119.52600
   59    61    62    83.00000  116.90000
   61    59    60    83.00000  123.40000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    52    53    85.00000  120.00000
   56    54    55    80.00000  125.30000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    46   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    46    43   3.62500 -1.0 2.0
   29    33    46    47   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    42   3.62500 -1.0 2.0
   37    33    46    43   3.62500 -1.0 2.0
   37    33    46    47   3.62500 -1.0 2.0
   37    39    40    41   3.62500 -1.0 2.0
   37    39   -40    43   3.62500 -1.0 2.0
   37    39    42    45   0.47150 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    42   3.62500 -1.0 2.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    46   3.62500 -1.0 2.0
   39    42    45    48   0.47150 -1.0 2.0
   39    42    45    57   0.47150 -1.0 2.0
   40    39    42    45   0.47150 -1.0 2.0
   40    43   -46    33   3.62500 -1.0 2.0
   40    43    46    47   3.62500 -1.0 2.0
   41    40    43    44   3.62500 -1.0 2.0
   41    40    43    46   3.62500 -1.0 2.0
   44    43    46    33   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   46    33    37    38   3.62500 -1.0 2.0
   46    33   -37    39   3.62500 -1.0 2.0
   42    39    40    41   3.62500 -1.0 2.0
   42    39    40    43   3.62500 -1.0 2.0
   42    45    48    49   3.62500 -1.0 2.0
   42    45    48    50   3.62500 -1.0 2.0
   42    45    57    53   3.62500 -1.0 2.0
   42    45    57    58   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    52   3.62500 -1.0 2.0
   48    45    57    53   3.62500 -1.0 2.0
   48    45    57    58   3.62500 -1.0 2.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    50    52    54   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    57   3.62500 -1.0 2.0
   50    52    53    59   3.62500 -1.0 2.0
   50    52    54    55   0.69950 -1.0 2.0
   50    52    54    56   0.69950 -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    53   -57    45   3.62500 -1.0 2.0
   52    53    57    58   3.62500 -1.0 2.0
   52    53    59    60   1.05000 -1.0 2.0
   52    53    59    61   0.98750 -1.0 2.0
   53    52    54    55   0.69950 -1.0 2.0
   53    52    54    56   0.69950 -1.0 2.0
   53    59    61    62   0.59950  1.0 1.0
   53    59    61    62   3.24850 -1.0 2.0
   57    45    48    49   3.62500 -1.0 2.0
   57    45   -48    50   3.62500 -1.0 2.0
   57    53    59    60   1.05000 -1.0 2.0
   57    53    59    61   0.98750 -1.0 2.0
   59    53    57    45   3.62500 -1.0 2.0
   59    53    57    58   3.62500 -1.0 2.0
   59    61    62    63   0.08050  1.0 3.0
   59    61    62    64   0.08050  1.0 3.0
   59    61    62    65   0.08050  1.0 3.0
   60    59    61    62   3.00000 -1.0 2.0
   54    52    53    57   3.62500 -1.0 2.0
   54    52    53    59   3.62500 -1.0 2.0
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
   37    46    33    29   4.00000 -1.0 2.0
   39    38    37    33   4.00000 -1.0 2.0
   40    42    39    37   4.00000 -1.0 2.0
   43    41    40    39   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   43    47    46    33   4.00000 -1.0 2.0
   48    57    45    42   4.00000 -1.0 2.0
   50    49    48    45   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    54    52    50   4.00000 -1.0 2.0
   57    59    53    52   4.00000 -1.0 2.0
   53    58    57    45   1.10000 -1.0 2.0
   53    61    59    60  10.50000 -1.0 2.0
   56    52    54    55  10.50000 -1.0 2.0
END
