* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    118    180     347
    1     0 S   NP   _N1_     1    28.88319    95.53136   -22.03709
    2     1 S   H    _HN1     2     1.02771    98.53880   -74.35543
    3     1 S   H    _H1_     3     1.02953    77.17393    32.70648
    4     1 S   H    _H2_     4     1.02822    36.58307   176.94367
    5     1 S   CT   _CA1     5     1.50192   142.78858   139.47407
    6     5 S   HC   _HA1     6     1.09586   105.07511    81.93444
    7     5 S   CO3  _C1_     7     1.53681   112.38533   -37.92261
    8     7 S   O2Z  _O11     8     1.26350   114.96182   -41.15696
    9     7 S   O2Z  _O12     9     1.26231   114.89742   137.44739
   10     5 S   CT   _CB1    10     1.53048   107.33313  -160.36713
   11    10 S   HC   HB11    11     1.09826   108.89656   -50.66442
   12    10 S   HC   HB12    12     1.09811   110.59377    65.77710
   13    10 S   CT   _CG1    13     1.53033   112.84716  -171.81568
   14    13 S   HC   HG11    14     1.09589   110.51727   -71.35340
   15    13 S   HC   HG12    15     1.09684   109.88633    47.83437
   16    13 S   C    _CD1    16     1.51918   112.20982   167.72504
   17    16 S   O    _OE1    17     1.22748   123.25988     3.51524
   18    16 S   N    _N2_    18     1.38570   111.71427  -175.79774
   19    18 S   H    _HN2    19     1.01634   118.94663    -1.64521
   20    18 S   CT1  _CA2    20     1.46361   123.52897   175.54196
   21    20 S   HC   _HA2    21     1.09748   109.36370    -6.03530
   22    20 S   C    _C2_    22     1.53517   108.27458  -121.12395
   23    22 S   O    _O2_    23     1.23030   122.49914  -148.89143
   24    20 S   CT   _CB2    32     1.53330   111.38972   116.29381
   25    24 S   HC   HB21    33     1.09360   109.18911    53.52378
   26    24 S   HC   HB22    34     1.09497   110.62689   171.87283
   27    22 S   N    _N3_    24     1.38432   113.48612    38.91612
   28    27 S   H    _HN3    25     1.01619   119.45079    -3.93433
   29    24 S   S    _SG2    35     1.83383   110.59317   -69.78411
   30    27 S   CT   _CA3    26     1.45265   123.15261   176.87319
   31    30 S   HC   HA31    27     1.09552   107.61378   -62.13584
   32    30 S   HC   HA32    28     1.09560   107.85038    54.25935
   33    29 S   CT   _C13    36     1.86606   103.02045   143.50063
   34    30 S   CO3  _C3_    29     1.52934   114.14315   176.24006
   35    34 S   O2Z  _O31    30     1.26367   116.08837     1.42327
   36    34 S   O2Z  _O32    31     1.26433   114.40384  -178.57577
   37    33 S   CM   _C14    37     1.51529   110.48443   -55.89271
   38    37 S   HC   _H11    38     1.08849   116.60268   -11.63909
   39    33 S   CO3  _C17    45     1.55727   102.22561    64.96119
   40    39 S   O2Z  _O40    46     1.26740   115.83096    92.09569
   41    39 S   O2Z  _O39    47     1.26654   116.65541   -87.57491
   42    33 S   CT   _C12    48     1.54898   107.68298  -178.07014
   43    42 S   HC   _H9_    49     1.09553   109.91702  -169.26080
   44    42 S   HC   _H10    50     1.09946   111.59137   -54.38152
   45    37 S   CM   _C15    39     1.34294   126.04163   170.86197
   46    42 S   CO4  _C11    51     1.52511   114.76618    66.49794
   47    46 S   O    _O35    52     1.22936   122.36183   -88.15662
   48    45 S   CO3  _C16    40     1.55033   122.12410   178.87187
   49    48 S   O2Z  _O37    41     1.26308   116.80313     2.84572
   50    48 S   O2Z  _O36    42     1.26760   114.02218  -177.40399
   51    45 S   OH   _O38    43     1.38221   121.69865    -0.05595
   52    51 S   HO   _H12    44     0.97561   106.12401   178.38505
   53    46 S   CA   _C9_    53     1.48129   119.26583    89.00844
   54    53 S   CA   _C8_    54     1.40194   119.71024    49.24282
   55    54 S   HA   _H7_    55     1.08745   119.79168     1.74361
   56    54 S   CA   _C7_    56     1.40581   120.88228  -179.32769
   57    56 S   CA   _C6_    57     1.40319   118.38571     0.54715
   58    57 S   HA   _H6_    58     1.08773   120.46362   179.90309
   59    56 S   CO3  _C18    68     1.50983   120.83391  -179.17386
   60    59 S   O2Z  _O42    69     1.27103   117.32794  -179.26591
   61    59 S   O2Z  _O41    70     1.27103   117.31420     1.05332
   62    57 S   CA   _C5_    59     1.39825   120.62576    -0.12972
   63    53 S   CA   _C10    60     1.39867   120.20890  -130.93683
   64    62 S   OS   _O33    63     1.37150   118.22076  -178.47954
   65    63 S   OH   _O34    61     1.36899   122.52079    -1.64056
   66    65 S   HO   _H8_    62     0.97295   109.19755    -6.85389
   67    64 S   CT   _C4_    64     1.42868   109.94628   -96.72632
   68    67 S   HC   _H3_    65     1.09393   107.76576   175.47697
   69    67 S   HC   _H4_    66     1.09586   111.33409    57.28491
   70    67 S   HC   _H5_    67     1.09498   111.23656   -66.20101
  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  11   5   4   3
  14   2   1   1  14   5   7   2   1   8   4   3   5   8   3   4
   2   1   1   1  10  10   4   8   9   4   3   1   1   8   4   5
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    41    42    43    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    48    51    39    40    41    42    43    44    46    47    53  
   35    36  
   36  
    0  
   38    45    48    49    50    51    52    39    40    41    42    43    44    46  
   45    48    51    39    42  
   40    41    42    43    44    46    45  
   41    42  
   42  
   43    44    46    47    53    54    63    45  
   44    46    47    53  
   46    47    53  
   48    49    50    51    52  
   47    53    54    55    56    62    63    65  
   53    54    63  
   49    50    51    52  
   50    51  
   51  
   52  
    0  
   54    55    56    57    62    63    65    66    64    59  
   55    56    57    58    62    63    65    59    60    61  
   56    57    63    59  
   57    58    62    63    64    59    60    61  
   58    62    63    65    64    67    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    65    66    64    67    68    69    70  
   65    66    64    67  
   67    68    69    70    65  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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   0.067500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   317.000  1.522
   33    42   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    48   230.000  1.545
   45    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
   39    40   656.000  1.250
   39    41   656.000  1.250
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   317.000  1.522
   46    47   570.000  1.229
   46    53   310.000  1.470
   53    54   469.000  1.400
   53    63   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   469.000  1.400
   56    59   400.000  1.490
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   450.000  1.364
   65    66   553.000  0.945
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   656.000  1.250
   59    61   656.000  1.250
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    70.00000  116.78000
   29    33    42    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    46    63.00000  111.10000
   37    45    48    55.00000  124.75400
   37    45    51    80.00000  121.38400
   45    37    38    35.00000  120.00000
   45    48    49    85.00000  113.83300
   45    48    50    85.00000  113.83300
   45    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    45    48    80.00000  119.00000
   39    33    37    65.00000  111.94000
   41    39    40    80.00000  126.00000
   42    33    37    70.00000  112.02700
   42    33    39    70.00000  109.69300
   42    46    47    80.00000  120.40000
   42    46    53    65.00000  115.47100
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   46    53    54    60.00000  119.52600
   46    53    63    60.00000  119.52600
   53    46    47    75.00000  123.78400
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    63    62    63.00000  120.00000
   53    63    65    70.00000  120.00000
   54    56    57    63.00000  120.00000
   54    56    59    85.00000  120.00000
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    62    63.00000  120.00000
   56    59    60    80.00000  120.40000
   56    59    61    80.00000  120.40000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    70.00000  120.00000
   62    64    67    75.00000  111.00000
   63    53    54    63.00000  120.00000
   63    65    66    35.00000  113.00000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    56    57    85.00000  120.00000
   61    59    60    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    46   0.56750  1.0 1.0
   29    33    42    46  -0.07550 -1.0 2.0
   29    33    42    46   0.20000  1.0 3.0
   33    37    45    48   7.00000 -1.0 2.0
   33    37    45    51   7.00000 -1.0 2.0
   33    42    46    47   0.30150 -1.0 2.0
   33    42    46    53   0.05850 -1.0 2.0
   33    42    46    53   0.17250  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    46  -0.98800  1.0 1.0
   37    33    42    46   0.48800 -1.0 2.0
   37    33    42    46   0.76800  1.0 3.0
   37    45    48    49  -0.04000 -1.0 2.0
   37    45    48    49  -0.29050  1.0 3.0
   37    45    48    50  -0.04000 -1.0 2.0
   37    45    48    50  -0.29050  1.0 3.0
   37    45    51    52  -0.66100  1.0 1.0
   37    45    51    52   1.20850 -1.0 2.0
   37    45    51    52  -0.36000  1.0 3.0
   38    37    45    48   7.00000 -1.0 2.0
   38    37    45    51   7.00000 -1.0 2.0
   48    45    51    52   2.00000 -1.0 2.0
   51    45    48    49   1.68800 -1.0 2.0
   51    45    48    50   1.68800 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.51250  1.0 1.0
   39    33    37    45  -0.88800 -1.0 2.0
   39    33    37    45   0.08850  1.0 3.0
   39    33    42    43  -0.11250  1.0 3.0
   39    33    42    44  -0.11250  1.0 3.0
   39    33    42    46  -0.30950  1.0 1.0
   39    33    42    46   1.11150 -1.0 2.0
   39    33    42    46   0.40350  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    45   0.09850  1.0 1.0
   42    33    37    45   0.15250 -1.0 2.0
   42    33    37    45  -0.50650  1.0 3.0
   42    33    39    40   0.41150 -1.0 2.0
   42    33    39    41   0.41150 -1.0 2.0
   42    46    53    54   2.26350  1.0 1.0
   42    46    53    54   0.76750 -1.0 2.0
   42    46    53    54   0.22500  1.0 3.0
   42    46    53    63   2.26350  1.0 1.0
   42    46    53    63   0.76750 -1.0 2.0
   42    46    53    63   0.22500  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.00000  1.0 1.0
   44    42    46    47   0.00000  1.0 1.0
   44    42    46    53   0.00000  1.0 1.0
   46    53    54    55   3.62500 -1.0 2.0
   46    53    54    56   3.62500 -1.0 2.0
   46    53    63    62   3.62500 -1.0 2.0
   46    53    63    65   3.62500 -1.0 2.0
   47    46    53    54   1.05000 -1.0 2.0
   47    46    53    63   1.05000 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    59   3.62500 -1.0 2.0
   53    63    65    66   0.84100 -1.0 2.0
   54    53    63    62   3.62500 -1.0 2.0
   54    53    63    65   3.62500 -1.0 2.0
   54    56    57    58   3.62500 -1.0 2.0
   54    56   -57    62   3.62500 -1.0 2.0
   54    56    59    60   1.05000 -1.0 2.0
   54    56    59    61   1.05000 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57    62    64   3.62500 -1.0 2.0
   57    56    59    60   1.05000 -1.0 2.0
   57    56    59    61   1.05000 -1.0 2.0
   57    62   -63    53   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    64    67   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   0.84100 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64    67    69   0.08050  1.0 3.0
   62    64    67    70   0.08050  1.0 3.0
   63    53    54    55   3.62500 -1.0 2.0
   63    53   -54    56   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    53   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    62   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   48    51    45    37  15.00000 -1.0 2.0
   49    45    48    50  10.50000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   54    63    53    46   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   57    59    56    54   4.00000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   62    65    63    53   4.00000 -1.0 2.0
   60    56    59    61  10.50000 -1.0 2.0
END
