* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    138    203     399
    1     0 S   NP   _N1_     1    28.05262    97.84385   -22.26923
    2     1 S   H    _HN1     2     1.02841    40.06351   152.70215
    3     1 S   H    _H1_     3     1.02784    99.70908  -101.07219
    4     1 S   H    _H2_     4     1.02953    72.96145     5.19528
    5     1 S   CT   _CA1     5     1.50111   143.90163   106.78547
    6     5 S   HC   _HA1     6     1.09586   105.21798    89.03593
    7     5 S   CO3  _C1_     7     1.53709   112.15812   -31.02199
    8     7 S   O2Z  _O11     8     1.26342   115.09848   -51.17753
    9     7 S   O2Z  _O12     9     1.26229   114.88291   127.87620
   10     5 S   CT   _CB1    10     1.53078   107.39526  -153.33071
   11    10 S   HC   HB11    11     1.09829   109.16736   -52.20012
   12    10 S   HC   HB12    12     1.09814   110.54243    64.26858
   13    10 S   CT   _CG1    13     1.53037   112.70193  -173.32432
   14    13 S   HC   HG11    14     1.09579   110.47730   -65.13362
   15    13 S   HC   HG12    15     1.09654   109.96817    54.06359
   16    13 S   C    _CD1    16     1.51854   112.18772   174.24013
   17    16 S   O    _OE1    17     1.22767   123.22568    -1.72624
   18    16 S   N    _N2_    18     1.38551   111.82954   178.61210
   19    18 S   H    _HN2    19     1.01575   119.06893     3.63970
   20    18 S   CT1  _CA2    20     1.45858   122.79361   176.71759
   21    20 S   HC   _HA2    21     1.09726   108.97721    22.51974
   22    20 S   C    _C2_    22     1.52917   106.89182   -94.46380
   23    22 S   O    _O2_    23     1.22982   123.02513   -27.28805
   24    20 S   CT   _CB2    32     1.53096   112.32940   145.70080
   25    24 S   HC   HB21    33     1.09608   110.38687    54.15782
   26    24 S   HC   HB22    34     1.09535   110.30111   173.27393
   27    22 S   N    _N3_    24     1.38490   112.59726   155.44670
   28    27 S   H    _HN3    25     1.01659   120.36670    -2.14667
   29    24 S   S    _SG2    35     1.82317   111.24430   -66.58152
   30    27 S   CT   _CA3    26     1.45358   122.46633   178.62969
   31    30 S   HC   HA31    27     1.09568   107.78822   -56.05643
   32    30 S   HC   HA32    28     1.09563   107.62943    60.27302
   33    29 S   CT   _C19    36     1.82055    98.54771  -179.77619
   34    33 S   HC   _H3_    37     1.09420   109.53407   -53.60476
   35    33 S   HC   _H4_    38     1.09457   107.93427    62.60752
   36    30 S   CO3  _C3_    29     1.52886   114.33576  -177.97687
   37    36 S   O2Z  _O31    30     1.26333   116.05961    -0.92450
   38    36 S   O2Z  _O32    31     1.26434   114.41169   179.04530
   39    33 S   CM   _C8_    39     1.50280   110.59341  -174.97816
   40    39 S   CMA  _C9_    40     1.34911   127.02855  -112.63867
   41    40 S   OM   _O17    41     1.26324   127.73043    -0.08847
   42    40 S   OS   _O19    42     1.41426   110.37929   179.89532
   43    42 S   CT   _C16    43     1.44164   108.50913    -3.10009
   44    43 S   HC   _H33    44     1.09601   105.68186   124.94255
   45    43 S   CT   _C14    45     1.55053   107.48910  -118.96762
   46    45 S   HC   _H30    46     1.09842   108.72512    54.03292
   47    45 S   HC   _H31    47     1.09830   109.23403   -59.32268
   48    39 S   CT   _C15    63     1.49660   120.85198    68.26463
   49    48 S   HC   _H32    64     1.09395   109.32139   -59.98271
   50    45 S   CM   _C7_    48     1.51868   114.56696   177.65882
   51    50 S   CM   _C5_    49     1.34930   119.90792    59.78646
   52    51 S   HC   _H23    50     1.08971   118.09669     7.06083
   53    50 S   CT   _C17    72     1.50455   114.82018  -115.38360
   54    53 S   HC   _H34    73     1.09557   109.71270   -56.61396
   55    53 S   HC   _H35    74     1.09160   113.56102  -175.68707
   56    53 S   HC   _H36    75     1.09390   110.80425    62.75311
   57    51 S   CT   _C12    51     1.50962   127.01199  -161.67346
   58    57 S   HC   _H26    52     1.09642   108.95413  -137.59456
   59    57 S   HC   _H27    53     1.09285   112.05948   -20.94057
   60    57 S   CT   _C13    54     1.55272   111.35378   101.89653
   61    60 S   HC   _H28    55     1.09666   109.95676  -166.58788
   62    60 S   HC   _H29    56     1.09881   108.41887    78.96739
   63    60 S   CM   _C6_    57     1.52135   112.73986   -42.50300
   64    63 S   CM   _C4_    58     1.34989   118.76962    90.20520
   65    64 S   HC   _H22    59     1.09062   117.33115     7.05274
   66    63 S   CO4  _C10    65     1.49170   119.56501   -82.99518
   67    66 S   O    _O18    66     1.22187   124.83092  -164.68127
   68    64 S   CT   _C11    60     1.50506   128.78630  -160.51308
   69    68 S   HC   _H24    61     1.09837   108.07440  -166.87764
   70    68 S   HC   _H25    62     1.09422   110.58200   -52.16372
   71    66 S   OS   _O20    67     1.35949   109.67626    14.71135
   72    71 S   CT   _C18    68     1.43064   115.46830   179.42291
   73    72 S   HC   _H37    69     1.09311   108.04311   177.91015
   74    72 S   HC   _H38    70     1.09404   110.34630    59.14655
   75    72 S   HC   _H39    71     1.09414   110.12264   -63.45610
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5   4   8
   4  10  12   5   4   2   1   1   8   5   4   9   4   3   9   7
   4   7   2   2   1   1   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    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    68    69    70    48    49  
   41    42    43    44    45    68    48    49  
   42    43    48  
   43    44    45    46    47    50    68    48    49  
   44    45    46    47    50    51    64    68    69    70    48    49    53  
   45    46    47    50    68    48    49  
   46    47    50    51    52    57    68    48    49    53    54    55    56  
   47    50    51    48    53  
   50    51    48    53  
   49    50    63    64    65    68    69    70  
   64    68    69    70  
   51    52    57    58    59    60    53    54    55    56  
   52    57    58    59    60    61    62    63    53    54    55    56  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    68    66    67    71  
   62    63    64    66  
   63    64    66  
   64    65    68    69    70    66    67    71    72  
   65    68    69    70    66    67    71  
   68    69    70    66  
   67    71    72    73    74    75    68  
   71    72  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   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    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   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   549.000  1.340
   63    66   320.000  1.462
   64    65   340.000  1.080
   64    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    48   268.000  1.529
   48    49   340.000  1.090
   66    67   570.000  1.229
   66    71   214.000  1.327
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    68    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    48    68    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    70.00000  124.00000
   45    50    53    65.00000  117.92700
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    70.00000  112.02700
   57    51    52    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    70.00000  124.00000
   60    63    66    65.00000  116.34900
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    64    65    35.00000  120.00000
   63    64    68    70.00000  124.00000
   63    66    67    80.00000  123.72100
   63    66    71    90.00000  111.29400
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    48    70.00000  112.02700
   68    64    65    35.00000  117.00000
   68    48    49    37.50000  110.70000
   70    68    69    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    68    69    37.50000  110.70000
   48    68    70    37.50000  110.70000
   66    63    64    65.00000  118.96000
   66    71    72    83.00000  116.90000
   71    66    67    83.00000  123.40000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    68   0.46850  1.0 1.0
   33    39    48    68   0.08550 -1.0 2.0
   33    39    48    68   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    68   0.09850  1.0 1.0
   40    39    48    68   0.15250 -1.0 2.0
   40    39    48    68  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.61850  1.0 1.0
   42    43    45    50  -0.22750 -1.0 2.0
   42    43    45    50   0.15300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    68   0.62750  1.0 1.0
   42    43    48    68  -0.30950 -1.0 2.0
   42    43    48    68   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.09850  1.0 1.0
   43    45    50    51   0.15250 -1.0 2.0
   43    45    50    51  -0.50650  1.0 3.0
   43    45    50    53   0.46850  1.0 1.0
   43    45    50    53   0.08550 -1.0 2.0
   43    45    50    53   0.09800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    68   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    68   0.56750  1.0 1.0
   45    43    48    68  -0.07550 -1.0 2.0
   45    43    48    68   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   7.00000 -1.0 2.0
   45    50    51    57   7.00000 -1.0 2.0
   45    50    53    54   0.34800  1.0 3.0
   45    50    53    55   0.34800  1.0 3.0
   45    50    53    56   0.34800  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    53   0.34800  1.0 3.0
   47    45    50    51   0.00000  1.0 1.0
   47    45    50    53   0.34800  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.09850  1.0 1.0
   50    51    57    60   0.15250 -1.0 2.0
   50    51    57    60  -0.50650  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.15000  1.0 3.0
   51    57    60    63   0.31000  1.0 1.0
   51    57    60    63   0.14700 -1.0 2.0
   51    57    60    63   0.07550  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   57    60    63    64   0.09850  1.0 1.0
   57    60    63    64   0.15250 -1.0 2.0
   57    60    63    64  -0.50650  1.0 3.0
   57    60    63    66   0.09700  1.0 1.0
   57    60    63    66   0.15600 -1.0 2.0
   57    60    63    66  -0.50800  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    64    65   7.00000 -1.0 2.0
   60    63    64    68   7.00000 -1.0 2.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63    66    71  -0.15000  1.0 1.0
   60    63    66    71   0.89550 -1.0 2.0
   60    63    66    71  -0.06900  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.00000  1.0 1.0
   62    60    63    66   0.15000  1.0 3.0
   63    64    68    69   0.00000  1.0 1.0
   63    64    68    70   0.00000  1.0 1.0
   63    64    68    48   0.09850  1.0 1.0
   63    64    68    48   0.15250 -1.0 2.0
   63    64    68    48  -0.50650  1.0 3.0
   63    66    71    72   2.00000 -1.0 2.0
   64    63    66    67   1.00000 -1.0 2.0
   64    63    66    71  -0.56150  1.0 1.0
   64    63    66    71   2.19150 -1.0 2.0
   64    68    48    39   0.31000  1.0 1.0
   64    68    48    39   0.14700 -1.0 2.0
   64    68    48    39   0.07550  1.0 3.0
   64    68    48    43   0.34400  1.0 1.0
   64    68    48    43   0.09450 -1.0 2.0
   64    68    48    43   0.11100  1.0 3.0
   64    68    48    49   0.15000  1.0 3.0
   65    64    68    69   0.33100  1.0 3.0
   65    64    68    70   0.33100  1.0 3.0
   65    64    68    48   0.00000  1.0 1.0
   69    68    48    39   0.15000  1.0 3.0
   69    68    48    43   0.15000  1.0 3.0
   69    68    48    49   0.15000  1.0 3.0
   70    68    48    39   0.15000  1.0 3.0
   70    68    48    43   0.15000  1.0 3.0
   70    68    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.34400  1.0 1.0
   48    43    45    50   0.09450 -1.0 2.0
   48    43    45    50   0.11100  1.0 3.0
   66    63    64    65   7.00000 -1.0 2.0
   66    63    64    68   7.00000 -1.0 2.0
   66    71    72    73   0.08050  1.0 3.0
   66    71    72    74   0.08050  1.0 3.0
   66    71    72    75   0.08050  1.0 3.0
   67    66    71    72   3.00000 -1.0 2.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -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
   38    30    36    37  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   60    66    63    64   1.10000 -1.0 2.0
   68    65    64    63   1.10000 -1.0 2.0
   63    71    66    67  10.50000 -1.0 2.0
END
