* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    123    184     358
    1     0 S   NP   _N1_     1    28.66854    94.52893   -20.98904
    2     1 S   H    _HN1     2     1.02973    92.40220    59.10964
    3     1 S   H    _H1_     3     1.02807    27.04249  -176.69850
    4     1 S   H    _H2_     4     1.02756    92.29422   -49.40326
    5     1 S   CT   _CA1     5     1.50266   137.79188  -176.93842
    6     5 S   HC   _HA1     6     1.09609   104.99745    59.17908
    7     5 S   CO3  _C1_     7     1.53817   112.54669   -60.05278
    8     7 S   O2Z  _O11     8     1.26340   115.10656   -35.76609
    9     7 S   O2Z  _O12     9     1.26276   114.88959   142.63213
   10     5 S   CT   _CB1    10     1.53074   107.15396   176.40637
   11    10 S   HC   HB11    11     1.09781   108.70477   -53.65457
   12    10 S   HC   HB12    12     1.09779   110.39828    62.36860
   13    10 S   CT   _CG1    13     1.52978   113.06677  -175.43340
   14    13 S   HC   HG11    14     1.09565   109.90319   -69.95407
   15    13 S   HC   HG12    15     1.09653   110.35894    48.64562
   16    13 S   C    _CD1    16     1.52002   112.18705   167.63826
   17    16 S   O    _OE1    17     1.22823   122.72904   -31.16478
   18    16 S   N    _N2_    18     1.38439   112.22948   151.85066
   19    18 S   H    _HN2    19     1.01570   118.97008    -3.73822
   20    18 S   CT1  _CA2    20     1.46188   123.73647   177.13174
   21    20 S   HC   _HA2    21     1.09726   109.51951   -10.21213
   22    20 S   C    _C2_    22     1.53566   107.87917  -125.53471
   23    22 S   O    _O2_    23     1.23033   122.44244  -145.61249
   24    20 S   CT   _CB2    32     1.53336   111.44660   112.40402
   25    24 S   HC   HB21    33     1.09497   109.44007    50.33265
   26    24 S   HC   HB22    34     1.09487   110.26893   168.93087
   27    22 S   N    _N3_    24     1.38583   113.39369    41.93421
   28    27 S   H    _HN3    25     1.01519   118.84254    -0.98477
   29    24 S   S    _SG2    35     1.83262   111.78464   -72.28798
   30    27 S   CT   _CA3    26     1.45405   123.33850   175.28096
   31    30 S   HC   HA31    27     1.09535   109.04983    28.13304
   32    30 S   HC   HA32    28     1.09494   107.17591   145.06383
   33    29 S   CT   _C10    36     1.85675   101.00509   156.47341
   34    33 S   OM   _O35    37     1.32000   109.30823   174.42863
   35    30 S   CO3  _C3_    29     1.52916   113.21532   -95.23975
   36    35 S   O2Z  _O31    30     1.26397   115.45014   -45.30564
   37    35 S   O2Z  _O32    31     1.26368   114.97826   135.67169
   38    33 S   CM   _C11    38     1.53269   106.24677    60.41305
   39    38 S   HC   _H12    39     1.09272   114.97361    70.33857
   40    33 S   CM   _C9_    54     1.53439   113.28160   -66.67130
   41    40 S   HC   _H11    55     1.09250   112.29345   147.54638
   42    38 S   CM   _C12    40     1.34662   127.65225  -108.47109
   43    42 S   HC   _H13    41     1.08578   120.61566    -0.78858
   44    40 S   CMA  _C8_    56     1.36563   131.43301   -34.23938
   45    44 S   OM   _O36    57     1.26470   129.60526    -3.29652
   46    42 S   CA   _C13    42     1.47155   124.40726   179.01265
   47    44 S   S    _S1_    58     1.80938   111.56710   177.42359
   48    46 S   CA   _C14    43     1.40297   122.48361   -36.70174
   49    48 S   HA   _H14    44     1.08744   120.90087     0.99524
   50    47 S   CT   _C7_    59     1.82887    98.33656   -86.83379
   51    50 S   HC   _H9_    60     1.09497   108.27199    71.29518
   52    50 S   HC   _H10    61     1.09557   109.60951   -46.52677
   53    48 S   CA   _C15    45     1.39682   120.58711  -178.38311
   54    53 S   HA   _H15    46     1.08627   119.79816  -179.78150
   55    50 S   CT   _C6_    62     1.52563   110.96664  -168.42241
   56    55 S   HC   _H7_    63     1.09544   111.68360   -52.90673
   57    55 S   HC   _H8_    64     1.09586   109.12836  -171.78413
   58    53 S   CA   _C16    47     1.39099   119.69340     0.55673
   59    55 S   N    _N4_    65     1.45293   112.25029    68.26252
   60    59 S   H    _H6_    66     1.01530   117.75122   -89.08203
   61    58 S   CA   _C17    48     1.39183   120.67843     0.24469
   62    61 S   HA   _H16    49     1.08595   121.02343   179.64502
   63    58 S   OH   _O34    52     1.36604   118.22499   179.97202
   64    63 S   HO   _H18    53     0.97237   108.56406  -179.90109
   65    59 S   C    _C5_    67     1.38355   122.76677    86.89822
   66    65 S   O    _O33    68     1.22791   125.42816     2.16483
   67    46 S   CA   _C18    50     1.40332   118.67381   146.26544
   68    67 S   HA   _H17    51     1.08808   120.46709    -1.89899
   69    65 S   CT   _C4_    69     1.50434   112.33268  -178.47299
   70    69 S   HC   _H3_    70     1.09370   110.00238    55.54931
   71    69 S   HC   _H4_    71     1.09337   109.74499   175.34650
   72    69 S   HC   _H5_    72     1.09353   109.65343   -64.89428
  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
  11   6   2   1   1   9   4   6   3   8   3   6   2   9   7   8
   4   8   5   4   7   3   7   4   3   6   7   3   5   3   2   1
   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    67    40    41    44  
   42    43    46    40  
   41    44    45    47    50    42  
   44    45    47  
   43    46    48    49    53    61    67    68  
   46    48    67  
   45    47    50    51    52    55  
   47    50  
   48    49    53    54    58    61    62    67    68  
   50    51    52    55    56    57    59  
   49    53    54    58    61    67    68    63  
   53    54    58    67  
   51    52    55    56    57    59    60    65  
   52    55    56    57    59  
   55    56    57    59  
   54    58    61    62    67    63    64  
   58    61    63  
   56    57    59    60    65    66    69  
   57    59    60    65  
   59    60    65  
   61    62    67    68    63    64  
   60    65    66    69    70    71    72  
   65    66    69  
   62    67    68    63    64  
   67    68    63  
   64    67  
    0  
   66    69    70    71    72  
   69    70    71    72  
   68  
    0  
   70    71    72  
   71    72  
   72  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.460
   46    48   469.000  1.400
   46    67   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    61   469.000  1.400
   58    63   450.000  1.364
   61    62   367.000  1.080
   61    67   469.000  1.400
   67    68   367.000  1.080
   63    64   553.000  0.945
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    47   240.000  1.763
   47    50   222.000  1.810
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   337.000  1.449
   59    60   434.000  1.010
   59    65   490.000  1.335
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    85.00000  110.90400
   38    42    43    35.00000  120.00000
   38    42    46    60.00000  123.20500
   42    38    39    35.00000  120.00000
   42    46    48    60.00000  120.93500
   42    46    67    60.00000  120.93500
   46    42    43    40.00000  117.26300
   46    48    49    35.00000  120.00000
   46    48    53    63.00000  120.00000
   46    67    61    63.00000  120.00000
   46    67    68    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    58    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    58    61    63.00000  120.00000
   53    58    63    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    67    63.00000  120.00000
   58    63    64    35.00000  113.00000
   61    67    68    35.00000  120.00000
   67    46    48    63.00000  120.00000
   67    61    62    35.00000  120.00000
   63    58    61    70.00000  120.00000
   40    33    34    85.00000  110.90400
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    47    65.00000  122.11800
   44    40    41    40.00000  120.50800
   44    47    50    85.00000  102.41200
   47    44    45    95.00000  113.88000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    55    75.00000  111.63000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    59    70.00000  110.72300
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    60    38.00000  118.40000
   55    59    65    50.00000  121.90000
   57    55    56    33.00000  107.80000
   59    55    56    35.00000  109.50000
   59    55    57    35.00000  109.50000
   59    65    66    80.00000  122.90000
   59    65    69    70.00000  116.60000
   65    59    60    35.00000  119.80000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.39000  1.0 1.0
   34    33    38    42  -0.05800 -1.0 2.0
   34    33    38    42  -0.55150  1.0 3.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.39000  1.0 1.0
   34    33    40    44  -0.05800 -1.0 2.0
   34    33    40    44  -0.55150  1.0 3.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    48   0.15800  1.0 1.0
   38    42    46    48   1.85350 -1.0 2.0
   38    42    46    48  -0.48700  1.0 3.0
   38    42    46    67   0.15800  1.0 1.0
   38    42    46    67   1.85350 -1.0 2.0
   38    42    46    67  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    48    49   3.62500 -1.0 2.0
   42    46    48    53   3.62500 -1.0 2.0
   42    46    67    61   3.62500 -1.0 2.0
   42    46    67    68   3.62500 -1.0 2.0
   43    42    46    48   0.56550  1.0 3.0
   43    42    46    67   0.56550  1.0 3.0
   46    48    53    54   3.62500 -1.0 2.0
   46    48    53    58   3.62500 -1.0 2.0
   48    46    67    61   3.62500 -1.0 2.0
   48    46    67    68   3.62500 -1.0 2.0
   48    53   -58    61   3.62500 -1.0 2.0
   48    53    58    63   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    58   3.62500 -1.0 2.0
   53    58    61    62   3.62500 -1.0 2.0
   53    58    61    67   3.62500 -1.0 2.0
   53    58    63    64   0.84100 -1.0 2.0
   54    53    58    61   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    61   -67    46   3.62500 -1.0 2.0
   58    61    67    68   3.62500 -1.0 2.0
   61    58    63    64   0.84100 -1.0 2.0
   62    61    67    46   3.62500 -1.0 2.0
   62    61    67    68   3.62500 -1.0 2.0
   67    46    48    49   3.62500 -1.0 2.0
   67    46   -48    53   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    58    61    67   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    47    50   1.00000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47    50    51   0.24000  1.0 3.0
   44    47    50    52   0.24000  1.0 3.0
   44    47    50    55   0.00000  1.0 1.0
   45    44    47    50   1.00000 -1.0 2.0
   47    50    55    56   0.15000  1.0 3.0
   47    50    55    57   0.15000  1.0 3.0
   47    50    55    59   0.56750  1.0 1.0
   47    50    55    59  -0.07550 -1.0 2.0
   47    50    55    59   0.20000  1.0 3.0
   50    55    59    60   0.00000  1.0 1.0
   50    55    59    65  -0.43950  1.0 1.0
   50    55    59    65  -0.08100 -1.0 2.0
   50    55    59    65   0.03350  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   55    59    65    66   3.04450 -1.0 2.0
   55    59    65    69   1.49850  1.0 1.0
   55    59    65    69   1.53950 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    65   0.00000  1.0 1.0
   57    55    59    60   0.00000  1.0 1.0
   57    55    59    65   0.00000  1.0 1.0
   59    65    69    70   0.00000  1.0 1.0
   59    65    69    71   0.00000  1.0 1.0
   59    65    69    72   0.00000  1.0 1.0
   60    59    65    66   2.45000 -1.0 2.0
   60    59    65    69   2.45000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   48    67    46    42   4.00000 -1.0 2.0
   53    49    48    46   1.10000 -1.0 2.0
   58    54    53    48   1.10000 -1.0 2.0
   61    63    58    53   4.00000 -1.0 2.0
   67    62    61    58   1.10000 -1.0 2.0
   61    68    67    46   1.10000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   45    47    44    40  15.00000 -1.0 2.0
   60    65    59    55   1.00000 -1.0 2.0
   59    69    65    66  10.50000 -1.0 2.0
END
