* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    117    180     341
    1     0 S   NP   _N1_     1    28.93645    93.42906   -19.78239
    2     1 S   H    _HN1     2     1.02847    24.10724   154.90399
    3     1 S   H    _H1_     3     1.02794    88.06949   -59.63055
    4     1 S   H    _H2_     4     1.02945   101.54071    48.57500
    5     1 S   CT   _CA1     5     1.50099   132.95945  -178.52011
    6     5 S   HC   _HA1     6     1.09602   105.16386    48.09381
    7     5 S   CO3  _C1_     7     1.53620   112.20020   -71.69732
    8     7 S   O2Z  _O11     8     1.26404   115.27332   -53.13157
    9     7 S   O2Z  _O12     9     1.26208   114.90532   126.16064
   10     5 S   CT   _CB1    10     1.53113   107.39732   165.41669
   11    10 S   HC   HB11    11     1.09807   108.85859   -54.04008
   12    10 S   HC   HB12    12     1.09818   110.64341    62.28916
   13    10 S   CT   _CG1    13     1.53069   112.78845  -175.42988
   14    13 S   HC   HG11    14     1.09561   110.15826   -66.73661
   15    13 S   HC   HG12    15     1.09643   110.20659    52.26885
   16    13 S   C    _CD1    16     1.51896   112.19061   171.90151
   17    16 S   O    _OE1    17     1.22765   123.02103   -16.18652
   18    16 S   N    _N2_    18     1.38593   111.99910   165.43302
   19    18 S   H    _HN2    19     1.01606   119.00419    -1.40903
   20    18 S   CT1  _CA2    20     1.46367   123.39290   178.42766
   21    20 S   HC   _HA2    21     1.09745   109.26450   -17.64517
   22    20 S   C    _C2_    22     1.53453   107.96344  -133.12264
   23    22 S   O    _O2_    23     1.23001   122.34114  -144.74136
   24    20 S   CT   _CB2    32     1.53621   111.73586   104.74010
   25    24 S   HC   HB21    33     1.09275   108.95023    53.97252
   26    24 S   HC   HB22    34     1.09439   110.17995   172.45309
   27    22 S   N    _N3_    24     1.38536   113.27304    42.54267
   28    27 S   H    _HN3    25     1.01532   118.92511    -0.48092
   29    24 S   S    _SG2    35     1.82849   111.30961   -67.98022
   30    27 S   CT   _CA3    26     1.45449   123.40258   175.07574
   31    30 S   HC   HA31    27     1.09527   109.16185    25.56257
   32    30 S   HC   HA32    28     1.09492   107.12999   142.57280
   33    29 S   CT   _C18    36     1.86359   102.06644   168.25301
   34    33 S   Cl   Cl1_    37     1.81504   106.04326   177.70382
   35    33 S   Cl   Cl2_    38     1.82039   107.24868    65.94507
   36    30 S   CO3  _C3_    29     1.52942   113.21275   -97.85163
   37    36 S   O2Z  _O31    30     1.26396   115.46274   -42.50138
   38    36 S   O2Z  _O32    31     1.26363   114.93767   138.43828
   39    33 S   CT   _C11    39     1.57577   115.07877   -56.84591
   40    39 S   HC   _H3_    40     1.10144   103.52903    72.28526
   41    39 S   CA   _C12    41     1.53554   118.28215   -40.54068
   42    39 S   CA   _C8_    53     1.53521   114.48651  -174.79610
   43    41 S   CA   _C13    42     1.40950   118.30396   142.65998
   44    43 S   HA   _H11    43     1.08809   120.28522    -0.18345
   45    42 S   CA   _C7_    54     1.40344   119.74662   -95.60586
   46    45 S   HA   _H8_    55     1.08763   120.57777     0.10653
   47    43 S   CA   _C14    44     1.39519   121.22344   179.95154
   48    47 S   HA   _H12    45     1.08610   119.94985   179.64173
   49    45 S   CA   _C6_    56     1.39709   120.88486  -179.87967
   50    49 S   HA   _H7_    57     1.08747   119.21957  -179.85329
   51    47 S   CA   _C15    46     1.38839   119.48969    -0.08393
   52    49 S   CA   _C5_    58     1.39637   120.64559     0.19584
   53    51 S   CA   _C16    47     1.39065   120.60247    -0.72900
   54    53 S   HA   _H13    48     1.08634   120.81163  -179.33177
   55    51 S   OH   _O34    51     1.36510   118.22359   179.42563
   56    55 S   HO   _H15    52     0.97556   108.67102  -169.32368
   57    52 S   CA   _C10    59     1.39456   119.05682     0.10279
   58    57 S   HA   _H10    60     1.08557   121.90988   179.82754
   59    52 S   OS   _O33    63     1.36907   115.01027  -179.97202
   60    41 S   CA   _C17    49     1.40293   123.71419   -38.71589
   61    60 S   HA   _H14    50     1.08440   121.47845    -0.27906
   62    42 S   CA   _C9_    61     1.40308   122.28478    85.01291
   63    62 S   HA   _H9_    62     1.08697   120.80646    -0.13848
   64    59 S   CT   _C4_    64     1.42274   116.76928   179.88131
   65    64 S   HC   _H4_    65     1.09428   107.75452  -179.87180
   66    64 S   HC   _H5_    66     1.09501   111.12893    62.37106
   67    64 S   HC   _H6_    67     1.09502   111.13867   -62.10638
  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   7   5   4   3
  10   5   4   2   1   1  15   6  12  11   8   4   8   4   7   3
   7   3   6   9   5   3   2   1   5   3   5   1   1   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    60    42    45    62  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    43    44    47    53    60    61    42    45    46    49    57    62    63  
   41    43    60    42    45    62  
   43    44    47    48    51    53    54    60    61    42    45    62  
   45    46    49    50    52    57    58    62    63    43    60  
   44    47    48    51    53    60    61    55  
   47    48    51    60  
   46    49    50    52    57    62    63    59  
   49    50    52    62  
   48    51    53    54    60    55    56  
   51    53    55  
   50    52    57    58    62    59    64  
   52    57    59  
   53    54    60    61    55    56  
   57    58    62    63    59    64    65    66    67  
   54    60    61    55    56  
   60    61    55  
   56    60  
    0  
   58    62    63    59    64  
   62    63    59  
   64    65    66    67    62  
   61  
    0  
   63  
    0  
   65    66    67  
   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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.298600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    42   317.000  1.510
   41    43   469.000  1.400
   41    60   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    55   450.000  1.364
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   367.000  1.080
   55    56   553.000  0.945
   42    45   469.000  1.400
   42    62   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   59    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  112.17500
   33    39    42    70.00000  112.17500
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    41    43    70.00000  120.00000
   39    41    60    70.00000  120.00000
   39    42    45    70.00000  120.00000
   39    42    62    70.00000  120.00000
   41    39    40    35.00000  109.50000
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    60    53    63.00000  120.00000
   41    60    61    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    60    63.00000  120.00000
   51    55    56    35.00000  113.00000
   53    60    61    35.00000  120.00000
   60    41    43    63.00000  120.00000
   60    53    54    35.00000  120.00000
   55    51    53    70.00000  120.00000
   42    39    40    35.00000  109.50000
   42    39    41    70.00000  112.04700
   42    45    46    35.00000  120.00000
   42    45    49    63.00000  120.00000
   42    62    57    63.00000  120.00000
   42    62    63    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   52    49    50    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    62    63.00000  120.00000
   52    59    64    75.00000  111.00000
   57    62    63    35.00000  120.00000
   62    42    45    63.00000  120.00000
   62    57    58    35.00000  120.00000
   59    52    57    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    43   0.04150 -1.0 2.0
   33    39    41    60   0.04150 -1.0 2.0
   33    39    42    45   0.04150 -1.0 2.0
   33    39    42    62   0.04150 -1.0 2.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   34    33    39    42   0.56750  1.0 1.0
   34    33    39    42  -0.07550 -1.0 2.0
   34    33    39    42   0.20000  1.0 3.0
   35    33    39    40   0.27000  1.0 3.0
   35    33    39    41   0.56750  1.0 1.0
   35    33    39    41  -0.07550 -1.0 2.0
   35    33    39    41   0.20000  1.0 3.0
   35    33    39    42   0.56750  1.0 1.0
   35    33    39    42  -0.07550 -1.0 2.0
   35    33    39    42   0.20000  1.0 3.0
   39    41    43    44   3.62500 -1.0 2.0
   39    41    43    47   3.62500 -1.0 2.0
   39    41    60    53   3.62500 -1.0 2.0
   39    41    60    61   3.62500 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    49   3.62500 -1.0 2.0
   39    42    62    57   3.62500 -1.0 2.0
   39    42    62    63   3.62500 -1.0 2.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    60   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    39    42    62   0.00000  1.0 1.0
   41    39    42    45   0.04300 -1.0 2.0
   41    39    42    62   0.04300 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    51   3.62500 -1.0 2.0
   43    41    60    53   3.62500 -1.0 2.0
   43    41    60    61   3.62500 -1.0 2.0
   43    47   -51    53   3.62500 -1.0 2.0
   43    47    51    55   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    60   3.62500 -1.0 2.0
   47    51    55    56   0.84100 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    53   -60    41   3.62500 -1.0 2.0
   51    53    60    61   3.62500 -1.0 2.0
   53    51    55    56   0.84100 -1.0 2.0
   54    53    60    41   3.62500 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   60    41    43    44   3.62500 -1.0 2.0
   60    41   -43    47   3.62500 -1.0 2.0
   55    51    53    54   3.62500 -1.0 2.0
   55    51    53    60   3.62500 -1.0 2.0
   42    39    41    43   0.04300 -1.0 2.0
   42    39    41    60   0.04300 -1.0 2.0
   42    45    49    50   3.62500 -1.0 2.0
   42    45    49    52   3.62500 -1.0 2.0
   45    42    62    57   3.62500 -1.0 2.0
   45    42    62    63   3.62500 -1.0 2.0
   45    49   -52    57   3.62500 -1.0 2.0
   45    49    52    59   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    57    62   3.62500 -1.0 2.0
   49    52    59    64   1.63200 -1.0 2.0
   50    49    52    57   3.62500 -1.0 2.0
   50    49    52    59   3.62500 -1.0 2.0
   52    57   -62    42   3.62500 -1.0 2.0
   52    57    62    63   3.62500 -1.0 2.0
   52    59    64    65   0.08050  1.0 3.0
   52    59    64    66   0.08050  1.0 3.0
   52    59    64    67   0.08050  1.0 3.0
   57    52    59    64   1.63200 -1.0 2.0
   58    57    62    42   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   62    42    45    46   3.62500 -1.0 2.0
   62    42   -45    49   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    52    57    62   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   43    60    41    39   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   53    55    51    47   4.00000 -1.0 2.0
   60    54    53    51   1.10000 -1.0 2.0
   53    61    60    41   1.10000 -1.0 2.0
   45    62    42    39   4.00000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   62    58    57    52   1.10000 -1.0 2.0
   57    63    62    42   1.10000 -1.0 2.0
END
