* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    141    225     417
    1     0 S   NP   _N1_     1    28.90019    96.53762   -20.12190
    2     1 S   H    _HN1     2     1.02797    82.52676  -102.86553
    3     1 S   H    _H1_     3     1.02964    80.08802     7.29987
    4     1 S   H    _H2_     4     1.02853    45.56879   133.04625
    5     1 S   CT   _CA1     5     1.50084   156.21038   126.40289
    6     5 S   HC   _HA1     6     1.09523   105.38917    64.53758
    7     5 S   CO3  _C1_     7     1.53919   112.63153   -56.35406
    8     7 S   O2Z  _O11     8     1.26354   115.21902   -33.36396
    9     7 S   O2Z  _O12     9     1.26334   115.48996   147.21347
   10     5 S   CT   _CB1    10     1.53271   107.60728  -176.50890
   11    10 S   HC   HB11    11     1.09811   110.29101   -40.67436
   12    10 S   HC   HB12    12     1.09828   109.92077    76.08906
   13    10 S   CT   _CG1    13     1.53072   112.51163  -161.41517
   14    13 S   HC   HG11    14     1.09447   110.82949   -50.18459
   15    13 S   HC   HG12    15     1.09635   109.88002    68.70464
   16    13 S   C    _CD1    16     1.51800   112.45155  -170.53770
   17    16 S   O    _OE1    17     1.22676   123.30080    -6.51587
   18    16 S   N    _N2_    18     1.38575   111.49578   173.11450
   19    18 S   H    _HN2    19     1.01573   119.02047     4.04869
   20    18 S   CT1  _CA2    20     1.46271   123.62222  -177.07524
   21    20 S   HC   _HA2    21     1.09720   109.56705    -5.33035
   22    20 S   C    _C2_    22     1.53398   108.22684  -121.13666
   23    22 S   O    _O2_    23     1.23001   122.28898  -143.37553
   24    20 S   CT   _CB2    32     1.53387   110.91931   116.72368
   25    24 S   HC   HB21    33     1.09561   109.52570    54.98328
   26    24 S   HC   HB22    34     1.09508   110.75412   173.49690
   27    22 S   N    _N3_    24     1.38525   113.37086    43.79980
   28    27 S   H    _HN3    25     1.01503   119.00424    -0.13562
   29    24 S   S    _SG2    35     1.83210   111.48057   -67.30130
   30    27 S   CT   _CA3    26     1.45459   123.39963   175.25666
   31    30 S   HC   HA31    27     1.09523   109.23003    24.70628
   32    30 S   HC   HA32    28     1.09495   107.12102   141.71132
   33    29 S   CT   _C16    36     1.85753   100.30036   137.80086
   34    33 S   HC   _H4_    37     1.09344   105.53721   -48.63965
   35    30 S   CO3  _C3_    29     1.52927   113.12280   -98.76625
   36    35 S   O2Z  _O31    30     1.26401   115.40537   -44.27773
   37    35 S   O2Z  _O32    31     1.26356   114.97990   136.65855
   38    33 S   CM   _C17    38     1.50759   107.25143    65.88089
   39    38 S   HC   _H18    39     1.08820   117.35789   -93.26035
   40    38 S   CMA  _C18    40     1.34654   123.07549    85.64675
   41    40 S   OM   _O35    41     1.25951   130.85537  -178.62371
   42    40 S   CT   _C19    42     1.52233   116.06751     0.81877
   43    42 S   HC   _H19    43     1.10053   111.42086   163.70100
   44    42 S   HC   _H20    44     1.09835   108.88239   -79.37442
   45    42 S   CT   _C11    45     1.53948   112.42969    42.38855
   46    45 S   HC   _H3_    46     1.09795   107.70026  -168.84986
   47    33 S   CT   _C12    47     1.57126   114.54701  -168.17680
   48    45 S   OS   _O34    56     1.45325   105.93693    78.41706
   49    47 S   CR3  _C9_    48     1.51047   111.58847   162.30090
   50    47 S   CT   _C13    71     1.55585   115.42842    38.44575
   51    50 S   HC   _H10    72     1.09783   108.70362   -70.21765
   52    50 S   HC   _H11    73     1.09995   109.75588   175.54302
   53    49 S   CA   _C8_    49     1.39260   129.40558   -69.28341
   54    53 S   CA   _C7_    50     1.40443   117.87692   178.59625
   55    54 S   HA   _H9_    51     1.08837   120.25224  -179.07465
   56    53 S   CT   _C15    62     1.49739   122.13093    -4.74483
   57    56 S   HC   _H16    63     1.09365   112.60518    67.41307
   58    56 S   HC   _H17    64     1.09596   110.44324  -172.96374
   59    54 S   CA   _C6_    52     1.40363   121.36827     2.41411
   60    59 S   HA   _H8_    53     1.08569   117.78534   179.49603
   61    56 S   NP   _N4_    65     1.49539   112.96438   -55.75537
   62    61 S   H    _H14    66     1.03396   107.19928  -161.21184
   63    61 S   H    _H15    67     1.02935   109.98634   -47.87211
   64    59 S   CA   _C5_    54     1.39381   120.31772     1.16986
   65    61 S   CT   _C14    68     1.48969   116.79051    78.50833
   66    65 S   HC   _H12    69     1.09503   105.55367   170.43768
   67    65 S   HC   _H13    70     1.09063   107.17384    55.68030
   68    49 S   CA   _C10    55     1.38697   110.63909   114.28970
   69    64 S   OS   _O33    57     1.36601   126.06613   177.67830
   70    69 S   CT   _C4_    58     1.42226   116.85759     1.92407
   71    70 S   HC   _H5_    59     1.09428   107.76702   179.05685
   72    70 S   HC   _H6_    60     1.09506   111.16921    61.25949
   73    70 S   HC   _H7_    61     1.09499   111.10378   -63.18993
  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   9   5   4   3
  17   7   2   1   1  10   4   8   4   9   5   4  11   5  14   7
  15  11   5   4  13  10   4  10   5   4   5   3   5   4   3   6
   2   1   1   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    49    53    68    48    65    50    51    52  
   38    39    40    45    47    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    49    50  
   40    41    42    47  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    49    68    48    50  
   44    45    46    47    48  
   45    46    47    48  
   46    47    49    53    64    68    48    65    50    51    52  
   47    49    68    48    50  
   49    53    54    64    68    48    56    61    65    66    67    50    51    52  
   69    50    49    53    59    64    68  
   53    54    55    59    64    68    69    56    57    58    61    65    50    51    52  
   51    52    53    56    61    62    63    65    66    67    68  
   52    61    65    66    67  
   61    65    66    67  
   54    55    59    60    64    68    56    57    58    61    62    63    65  
   55    59    60    64    68    69    56    57    58    61  
   59    60    64    56  
   57    58    61    62    63    65    66    67    59    68  
   58    61    62    63    65  
   61    62    63    65  
   60    64    68    69    70  
   64    68    69  
   62    63    65    66    67  
   63    65    66    67  
   65    66    67  
   68    69    70    71    72    73  
   66    67  
   67  
    0  
   69    70  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.716200   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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.285000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   62   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    49   317.000  1.510
   47    50   268.000  1.529
   49    53   490.000  1.398
   49    68   490.000  1.398
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    48   450.000  1.364
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   367.000  1.471
   61    62   434.000  1.010
   61    63   434.000  1.010
   61    65   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    50   268.000  1.529
   50    51   340.000  1.090
   50    52   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    58.35000  112.70000
   33    47    49    70.00000  112.17500
   33    47    50    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    48    50.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    49    70.00000  112.17500
   45    47    50    58.35000  112.70000
   45    48    68    75.00000  111.00000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    45    46    37.50000  110.70000
   47    49    53    70.00000  120.00000
   47    49    68    70.00000  120.00000
   47    50    65    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   49    53    54    70.00000  112.88000
   49    53    56    80.00000  105.07000
   49    68    64    70.00000  112.88000
   49    68    48    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    75.00000  110.83300
   54    59    60    35.00000  120.00000
   54    59    64    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    64    68    63.00000  120.00000
   59    64    69    70.00000  120.00000
   64    59    60    35.00000  120.00000
   64    68    48    70.00000  120.00000
   64    69    70    75.00000  111.00000
   68    49    53    60.00000  130.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   69    64    68    70.00000  120.00000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    53    54    70.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    65    75.00000  113.01200
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    50    80.00000  111.20000
   63    61    62    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   65    50    51    37.50000  110.70000
   65    50    52    37.50000  110.70000
   67    65    66    33.00000  107.80000
   50    47    49    70.00000  112.17500
   50    65    66    37.50000  110.70000
   50    65    67    37.50000  110.70000
   52    50    51    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   0.32350  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    45   0.44750  1.0 1.0
   29    33    47    45  -0.17800 -1.0 2.0
   29    33    47    45   0.20200  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    49    53   0.04150 -1.0 2.0
   33    47    49    68   0.04150 -1.0 2.0
   33    47    50    65   0.56750  1.0 1.0
   33    47    50    65  -0.07550 -1.0 2.0
   33    47    50    65   0.20000  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    49   0.43200  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    49   0.21200  1.0 1.0
   38    33    47    49   0.16900 -1.0 2.0
   38    33    47    49  -1.15100  1.0 3.0
   38    33    47    50   0.34400  1.0 1.0
   38    33    47    50   0.09450 -1.0 2.0
   38    33    47    50   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    48   0.61850  1.0 1.0
   40    42    45    48  -0.22750 -1.0 2.0
   40    42    45    48   0.15300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45   -47    33   0.56750  1.0 1.0
   42    45   -47    33  -0.07550 -1.0 2.0
   42    45   -47    33   0.20000  1.0 3.0
   42    45    47    49  -0.03700  1.0 1.0
   42    45    47    49   0.37200 -1.0 2.0
   42    45    47    49  -0.47300  1.0 3.0
   42    45    47    50   0.56750  1.0 1.0
   42    45    47    50  -0.07550 -1.0 2.0
   42    45    47    50   0.20000  1.0 3.0
   42    45    48    68  -0.32850  1.0 1.0
   42    45    48    68  -0.35800 -1.0 2.0
   42    45    48    68   0.33950  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.23400  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.23400  1.0 3.0
   45    47    49    53   0.04150 -1.0 2.0
   45    47   -49    68   0.04150 -1.0 2.0
   45    47    50    65   0.56750  1.0 1.0
   45    47    50    65  -0.07550 -1.0 2.0
   45    47    50    65   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    49   0.43200  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    48    68   0.08050  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    45   -48    68  -0.32850  1.0 1.0
   47    45   -48    68  -0.35800 -1.0 2.0
   47    45   -48    68   0.33950  1.0 3.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    56   3.62500 -1.0 2.0
   47    49    68    64   3.62500 -1.0 2.0
   47    49   -68    48   3.62500 -1.0 2.0
   49    47    50    65  -0.03700  1.0 1.0
   49    47    50    65   0.37200 -1.0 2.0
   49    47    50    65  -0.47300  1.0 3.0
   49    47    50    51   0.43200  1.0 3.0
   49    47    50    52   0.43200  1.0 3.0
   49    53    54    55   3.62500 -1.0 2.0
   49    53    54    59   3.62500 -1.0 2.0
   49    53    56    57   0.00000  1.0 1.0
   49    53    56    58   0.00000  1.0 1.0
   49    53    56    61  -0.46400 -1.0 2.0
   49    68   -48    45   1.63200 -1.0 2.0
   53    49    68    64   3.62500 -1.0 2.0
   53    49    68    48   3.62500 -1.0 2.0
   53    54    59    60   3.62500 -1.0 2.0
   53    54   -59    64   3.62500 -1.0 2.0
   53    56    61    62   0.17350  1.0 3.0
   53    56    61    63   0.17350  1.0 3.0
   53    56    61    65   0.03550  1.0 1.0
   53    56    61    65   0.09800 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    61  -0.46400 -1.0 2.0
   54    59    64    68   3.62500 -1.0 2.0
   54    59    64    69   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    64   -68    49   3.62500 -1.0 2.0
   59    64    68    48   3.62500 -1.0 2.0
   59    64    69    70   1.63200 -1.0 2.0
   60    59    64    68   3.62500 -1.0 2.0
   60    59    64    69   3.62500 -1.0 2.0
   64    68    48    45   1.63200 -1.0 2.0
   64    69    70    71   0.08050  1.0 3.0
   64    69    70    72   0.08050  1.0 3.0
   64    69    70    73   0.08050  1.0 3.0
   68    49   -53    54   3.62500 -1.0 2.0
   68    49    53    56   3.62500 -1.0 2.0
   68    64    69    70   1.63200 -1.0 2.0
   48    45    47    33   0.62750  1.0 1.0
   48    45    47    33  -0.30950 -1.0 2.0
   48    45    47    33   0.27300  1.0 3.0
   48    45   -47    49  -0.64350  1.0 1.0
   48    45   -47    49  -0.04200 -1.0 2.0
   48    45   -47    49   0.19800  1.0 3.0
   48    45    47    50   0.62750  1.0 1.0
   48    45    47    50  -0.30950 -1.0 2.0
   48    45    47    50   0.27300  1.0 3.0
   69    64    68    49   3.62500 -1.0 2.0
   69    64    68    48   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    50   0.47100  1.0 1.0
   57    56    61    62   0.13050  1.0 3.0
   57    56    61    63   0.13050  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   58    56    61    62   0.13050  1.0 3.0
   58    56    61    63   0.13050  1.0 3.0
   58    56    61    65   0.15000  1.0 3.0
   61    65    50    47   1.36600  1.0 1.0
   61    65    50    47  -0.11450 -1.0 2.0
   61    65    50    47   0.24250  1.0 3.0
   61    65    50    51   0.19200  1.0 3.0
   61    65    50    52   0.19200  1.0 3.0
   62    61    65    66   0.13050  1.0 3.0
   62    61    65    67   0.13050  1.0 3.0
   62    61    65    50   0.17350  1.0 3.0
   63    61    65    66   0.13050  1.0 3.0
   63    61    65    67   0.13050  1.0 3.0
   63    61    65    50   0.17350  1.0 3.0
   66    65    50    47   0.15000  1.0 3.0
   66    65    50    51   0.15000  1.0 3.0
   66    65    50    52   0.15000  1.0 3.0
   67    65    50    47   0.15000  1.0 3.0
   67    65    50    51   0.15000  1.0 3.0
   67    65    50    52   0.15000  1.0 3.0
   50    47    49    53   0.04150 -1.0 2.0
   50    47    49    68   0.04150 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   53    68    49    47   4.00000 -1.0 2.0
   54    56    53    49   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   64    60    59    54   1.10000 -1.0 2.0
   68    69    64    59   4.00000 -1.0 2.0
   64    48    68    49   4.00000 -1.0 2.0
END
