* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    121    176     343
    1     0 S   NP   _N1_     1    28.85710    93.37412   -19.38141
    2     1 S   H    _HN1     2     1.02969    99.85260    34.29081
    3     1 S   H    _H1_     3     1.02843    29.83905   141.47767
    4     1 S   H    _H2_     4     1.02795    83.33355   -73.13310
    5     1 S   CT   _CA1     5     1.50103   138.05675   170.82500
    6     5 S   HC   _HA1     6     1.09568   105.30165    44.17712
    7     5 S   CO3  _C1_     7     1.53812   112.50120   -76.08556
    8     7 S   O2Z  _O11     8     1.26370   115.23956   -42.41674
    9     7 S   O2Z  _O12     9     1.26230   115.08753   137.43069
   10     5 S   CT   _CB1    10     1.53148   107.38021   162.11132
   11    10 S   HC   HB11    11     1.09822   109.49325   -51.00595
   12    10 S   HC   HB12    12     1.09750   110.22738    65.38581
   13    10 S   CT   _CG1    13     1.53001   112.82050  -172.14862
   14    13 S   HC   HG11    14     1.09485   110.35254   -58.66579
   15    13 S   HC   HG12    15     1.09623   110.10451    60.45714
   16    13 S   C    _CD1    16     1.51814   112.34157  -179.04039
   17    16 S   O    _OE1    17     1.22710   123.18380    -9.42433
   18    16 S   N    _N2_    18     1.38626   111.65703   170.85883
   19    18 S   H    _HN2    19     1.01590   119.00764     1.69927
   20    18 S   CT1  _CA2    20     1.46316   123.51090  -178.05238
   21    20 S   HC   _HA2    21     1.09732   109.36582   -14.24848
   22    20 S   C    _C2_    22     1.53393   108.19055  -129.96670
   23    22 S   O    _O2_    23     1.23004   122.28069  -144.99573
   24    20 S   CT   _CB2    32     1.53553   111.33558   107.92858
   25    24 S   HC   HB21    33     1.09428   109.43836    54.61681
   26    24 S   HC   HB22    34     1.09502   110.62274   173.43834
   27    22 S   N    _N3_    24     1.38520   113.31488    42.28800
   28    27 S   H    _HN3    25     1.01529   118.92710    -0.43296
   29    24 S   S    _SG2    35     1.82655   111.49584   -67.00350
   30    27 S   CT   _CA3    26     1.45450   123.42298   175.16260
   31    30 S   HC   HA31    27     1.09524   109.21469    24.77256
   32    30 S   HC   HA32    28     1.09495   107.12476   141.77696
   33    29 S   CT   _C15    36     1.82641   100.21163   169.11651
   34    33 S   HC   _H17    37     1.09517   106.36254   168.53234
   35    33 S   HC   _H18    38     1.09536   108.70620    54.22974
   36    30 S   CO3  _C3_    29     1.52928   113.13978   -98.68753
   37    36 S   O2Z  _O31    30     1.26401   115.41965   -44.01718
   38    36 S   O2Z  _O32    31     1.26358   114.97226   136.92184
   39    33 S   CT   _C14    39     1.53324   115.31364   -69.69278
   40    39 S   HC   _H15    40     1.09783   108.39129  -173.88128
   41    39 S   HC   _H16    41     1.09648   109.71257    71.65871
   42    39 S   C5A  _C6_    42     1.50167   113.87769   -53.28490
   43    42 S   C5B  _C5_    43     1.38384   130.18028   -64.50427
   44    43 S   N5P  _N4_    44     1.39216   111.83290   175.36050
   45    43 S   CT   _C4_    65     1.48180   128.29593    -2.57944
   46    45 S   HC   _H3_    66     1.09377   110.76936   101.39901
   47    45 S   HC   _H4_    67     1.09335   111.78925  -136.76101
   48    45 S   HC   _H5_    68     1.09483   111.03470   -18.02447
   49    44 S   CRP  _C7_    45     1.32111   114.63419     5.29938
   50    49 S   HA   _H6_    46     1.08146   124.47981   177.48417
   51    44 S   CT   _C8_    48     1.47054   125.13132  -176.34382
   52    51 S   HC   _H7_    49     1.09534   107.08639   -53.18523
   53    51 S   HC   _H8_    50     1.09729   109.90726  -168.73245
   54    42 S   SA   _S1_    47     1.72098   119.93754   115.63092
   55    51 S   CA   _C9_    51     1.50672   112.40924    70.35618
   56    55 S   CA   _C10    52     1.38882   122.12698    34.27991
   57    56 S   HA   _H9_    53     1.08541   121.64970    -0.50590
   58    56 S   NB   _N5_    54     1.34689   124.68158   179.72804
   59    58 S   CQ   _C11    55     1.34322   115.50101     0.03426
   60    59 S   NB   _N6_    56     1.34857   125.09439    -1.76614
   61    59 S   CT   _C13    61     1.49509   117.47694  -179.38229
   62    61 S   HC   _H12    62     1.09383   109.69059    88.92953
   63    61 S   HC   _H13    63     1.09430   110.64010  -151.01851
   64    61 S   HC   _H14    64     1.09432   110.64583   -31.12161
   65    55 S   CA   _C12    57     1.39444   122.69965  -148.82227
   66    65 S   NE   _N7_    58     1.39171   121.15415     2.11840
   67    66 S   H    _H10    59     1.01159   119.13648   -36.57212
   68    66 S   H    _H11    60     1.01363   115.59539   177.45770
  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
   8   5   4   2   1   1   8   4   3  10  12  13   6   2   1   1
   6   2  10   4   3   1   9   7   3   7   7   8   4   2   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    42    43    54  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    54    45  
   41    42    43    54  
   42    43    54  
   43    44    49    50    54    51    45    46    47    48  
   44    49    50    54    51    52    53    55    45    46    47    48  
   49    50    54    51    52    53    55    56    65    45    46    47    48  
   46    47    48    49    51    54  
   47    48  
   48  
    0  
   50    54    51    52    53    55  
   54    51  
   52    53    55    56    57    58    60    65    66    54  
   53    55    56    65  
   55    56    65  
    0  
   56    57    58    59    60    65    66    67    68  
   57    58    59    60    65    66    61  
   58    59    65  
   59    60    65    61    62    63    64  
   60    65    66    61    62    63    64  
   65    66    67    68    61    62    63    64  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0700  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.101800   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.285600   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    54   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    51   300.000  1.456
   49    50   400.000  1.075
   49    54   260.000  1.741
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.510
   55    56   469.000  1.400
   55    65   469.000  1.400
   56    57   367.000  1.080
   56    58   483.000  1.339
   58    59   502.000  1.324
   59    60   502.000  1.324
   59    61   317.000  1.510
   60    65   483.000  1.339
   65    66   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    54    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    54    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    51    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    50    40.00000  125.70600
   44    49    54    85.00000  110.81000
   44    51    52    50.00000  107.70000
   44    51    53    50.00000  107.70000
   44    51    55    75.00000  110.34000
   54    42    43    80.00000  111.29200
   54    49    50    35.00000  125.65300
   51    44    49    65.00000  121.70000
   51    55    56    70.00000  120.00000
   51    55    65    70.00000  120.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    58    70.00000  124.00000
   55    65    60    70.00000  124.00000
   55    65    66    70.00000  120.10000
   56    58    59    70.00000  118.60000
   58    56    57    35.00000  116.00000
   58    59    60    70.00000  129.10000
   58    59    61    75.00000  115.74700
   59    60    65    70.00000  118.60000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   60    65    66    80.00000  117.25000
   65    55    56    63.00000  120.00000
   65    66    67    35.00000  113.50000
   65    66    68    35.00000  113.50000
   68    66    67    35.00000  109.00000
   61    59    60    75.00000  115.74700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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   0.15000  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    42    43   0.04150 -1.0 2.0
   33    39    42    54  -1.00500  1.0 1.0
   33    39    42    54  -0.91300 -1.0 2.0
   33    39    42    54   0.11400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    54    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    54   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    54   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    51   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -54    49   3.62500 -1.0 2.0
   43    44    49    50   3.62500 -1.0 2.0
   43    44   -49    54   3.62500 -1.0 2.0
   43    44    51    52   0.00000  1.0 1.0
   43    44    51    53   0.00000  1.0 1.0
   43    44    51    55   0.68100  1.0 1.0
   43    44    51    55   0.03350 -1.0 2.0
   43    44    51    55   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -54    42   3.62500 -1.0 2.0
   44    51    55    56   0.04300 -1.0 2.0
   44    51    55    65   0.04300 -1.0 2.0
   49    44    51    52   0.00000  1.0 1.0
   49    44    51    53   0.00000  1.0 1.0
   49    44    51    55   0.68100  1.0 1.0
   49    44    51    55   0.03350 -1.0 2.0
   49    44    51    55   0.36200  1.0 3.0
   50    49    54    42   3.62500 -1.0 2.0
   54    42   -43    44   3.62500 -1.0 2.0
   54    42    43    45   3.62500 -1.0 2.0
   51    44    49    50   3.62500 -1.0 2.0
   51    44    49    54   3.62500 -1.0 2.0
   51    55    56    57   3.62500 -1.0 2.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55    65    60   3.62500 -1.0 2.0
   51    55    65    66   3.62500 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    65   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    65   0.00000  1.0 1.0
   55    56    58    59   3.62500 -1.0 2.0
   55    65    66    67   1.00000 -1.0 2.0
   55    65    66    68   1.00000 -1.0 2.0
   56    55    65    60   3.62500 -1.0 2.0
   56    55    65    66   3.62500 -1.0 2.0
   56    58   -59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59    60    65   3.62500 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    64   0.00000  1.0 1.0
   59    60   -65    55   3.62500 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.00000  1.0 1.0
   60    65    66    67   1.75000 -1.0 2.0
   60    65    66    68   1.75000 -1.0 2.0
   65    55    56    57   3.62500 -1.0 2.0
   65    55   -56    58   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    51   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    54    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    51    44    43   4.00000 -1.0 2.0
   54    50    49    44   1.10000 -1.0 2.0
   56    65    55    51   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   61    60    59    58   4.00000 -1.0 2.0
   60    66    65    55   4.00000 -1.0 2.0
   68    65    66    67   1.00000 -1.0 2.0
END
