* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    118    180     347
    1     0 S   NP   _N1_     1    28.34079    96.23092   -24.22830
    2     1 S   H    _HN1     2     1.02835    27.97125   160.08278
    3     1 S   H    _H1_     3     1.02777   113.27816  -115.49026
    4     1 S   H    _H2_     4     1.02956    79.50507    -9.90647
    5     1 S   CT   _CA1     5     1.50150   126.77324    97.78338
    6     5 S   HC   _HA1     6     1.09575   105.18967    85.57820
    7     5 S   CO3  _C1_     7     1.53767   112.31880   -34.58195
    8     7 S   O2Z  _O11     8     1.26371   114.98409   -44.11694
    9     7 S   O2Z  _O12     9     1.26225   114.92463   134.82440
   10     5 S   CT   _CB1    10     1.53078   107.40654  -156.52650
   11    10 S   HC   HB11    11     1.09832   109.29607   -50.12942
   12    10 S   HC   HB12    12     1.09814   110.44615    66.40900
   13    10 S   CT   _CG1    13     1.53046   112.71677  -171.16353
   14    13 S   HC   HG11    14     1.09587   110.56108   -65.52971
   15    13 S   HC   HG12    15     1.09660   109.86618    53.70417
   16    13 S   C    _CD1    16     1.51857   112.18128   174.06271
   17    16 S   O    _OE1    17     1.22774   123.23154     3.99307
   18    16 S   N    _N2_    18     1.38566   111.84628  -176.06299
   19    18 S   H    _HN2    19     1.01572   119.12903     3.68796
   20    18 S   CT1  _CA2    20     1.45745   122.70948   177.33486
   21    20 S   HC   _HA2    21     1.09741   108.87710    26.30373
   22    20 S   C    _C2_    22     1.53029   107.44503   -90.69403
   23    22 S   O    _O2_    23     1.22965   123.11879   -24.45736
   24    20 S   CT   _CB2    32     1.53094   112.37771   149.52910
   25    24 S   HC   HB21    33     1.09600   110.59985    53.25142
   26    24 S   HC   HB22    34     1.09292   109.54401   171.83634
   27    22 S   N    _N3_    24     1.38582   112.47659   158.36039
   28    27 S   H    _HN3    25     1.01671   120.33646    -3.42817
   29    24 S   S    _SG2    35     1.82513   111.64701   -67.61936
   30    27 S   CT   _CA3    26     1.45355   122.51654   177.45763
   31    30 S   HC   HA31    27     1.09578   107.68115   -55.02429
   32    30 S   HC   HA32    28     1.09546   107.75414    61.29188
   33    29 S   CT   _C12    36     1.85120    99.10922  -171.50756
   34    33 S   HC   _H3_    37     1.09311   107.45630   -33.77472
   35    30 S   CO3  _C3_    29     1.52877   114.15408  -177.29810
   36    35 S   O2Z  _O31    30     1.26322   115.94783   -15.66288
   37    35 S   O2Z  _O32    31     1.26422   114.53755   164.55009
   38    33 S   CO4  _C11    38     1.53248   105.74283    85.60126
   39    38 S   O    _O35    39     1.23044   122.68738    72.85179
   40    33 S   CT   _C13    58     1.54024   110.43017  -153.87459
   41    40 S   HC   _H4_    59     1.09841   109.49244   -57.48970
   42    38 S   CA   _C9_    40     1.48723   119.01648  -102.65656
   43    40 S   CM   _C14    60     1.51976   110.96075  -179.22192
   44    43 S   HC   _H11    61     1.08913   115.77226   -61.89603
   45    40 S   CO3  _C17    68     1.54769   113.58156    63.54841
   46    45 S   O2Z  _O40    69     1.26433   116.22296    35.81610
   47    45 S   O2Z  _O39    70     1.26571   114.71017  -144.11069
   48    42 S   CA   _C8_    41     1.39912   120.03765   -41.94216
   49    48 S   HA   _H9_    42     1.08753   120.07168    -3.43986
   50    43 S   CM   _C15    62     1.34140   125.12047   117.70085
   51    48 S   CA   _C7_    43     1.40445   120.72142   177.41169
   52    50 S   CO3  _C16    63     1.55059   122.39975  -179.68847
   53    52 S   O2Z  _O37    64     1.26259   116.85166     0.23821
   54    52 S   O2Z  _O36    65     1.26814   113.96104  -179.81977
   55    50 S   OH   _O38    66     1.38295   121.58582     0.13848
   56    55 S   HO   _H12    67     0.97542   106.05692  -179.97202
   57    51 S   CA   _C6_    44     1.40676   118.74162     0.24549
   58    57 S   HA   _H8_    45     1.08654   118.47367  -179.95154
   59    51 S   CO3  _C18    55     1.51051   120.70124  -179.54200
   60    59 S   O2Z  _O42    56     1.27094   117.28596  -170.67338
   61    59 S   O2Z  _O41    57     1.27048   117.26684     9.48206
   62    57 S   CA   _C5_    46     1.39970   121.17703     0.32264
   63    42 S   CA   _C10    47     1.40240   120.33424   136.90991
   64    62 S   OS   _O33    50     1.37180   124.81734   179.76930
   65    63 S   OH   _O34    48     1.37294   121.95192     1.71384
   66    65 S   HO   _H10    49     0.97325   109.08367     9.47287
   67    64 S   CT   _C4_    51     1.42250   117.04295    11.43261
   68    67 S   HC   _H5_    52     1.09427   107.73925   172.92992
   69    67 S   HC   _H6_    53     1.09509   111.47001    55.02511
   70    67 S   HC   _H7_    54     1.09472   110.86496   -69.47799
  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
  14   7   2   1   1  12   4  10   6  10  10   4   3   1   1  10
   4   5   8   4   2   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    63    40    41    43    44    50    45    46    47  
   38    39    42    40    41    43    45  
   36    37  
   37  
    0  
   39    42    48    49    51    62    63    65    40    41    43    45  
   42    48    63    40  
   41    43    44    50    52    55    45    46    47    42  
   43    44    50    45    46    47  
   48    49    51    57    62    63    65    66    64    59  
   44    50    52    53    54    55    56    45    46    47  
   50    52    55    45  
   46    47    50  
   47  
    0  
   49    51    57    58    62    63    65    59    60    61  
   51    57    63    59  
   52    53    54    55    56  
   57    58    62    63    64    59    60    61  
   53    54    55    56  
   54    55  
   55  
   56  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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    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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    48   469.000  1.400
   42    63   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    57   469.000  1.400
   51    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
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    45   317.000  1.522
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    52   230.000  1.545
   50    55   510.000  1.338
   52    53   656.000  1.250
   52    54   656.000  1.250
   55    56   553.000  0.945
   45    46   656.000  1.250
   45    47   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    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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    48    60.00000  119.52600
   38    42    63    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    48    49    35.00000  120.00000
   42    48    51    63.00000  120.00000
   42    63    62    63.00000  120.00000
   42    63    65    70.00000  120.00000
   48    51    57    63.00000  120.00000
   48    51    59    85.00000  120.00000
   51    48    49    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    62    63.00000  120.00000
   51    59    60    80.00000  120.40000
   51    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    42    48    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    51    57    85.00000  120.00000
   61    59    60    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    43    44    35.00000  117.00000
   40    43    50    70.00000  124.00000
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   43    40    41    35.00000  109.50000
   43    50    52    55.00000  124.75400
   43    50    55    80.00000  121.38400
   50    43    44    35.00000  120.00000
   50    52    53    85.00000  113.83300
   50    52    54    85.00000  113.83300
   50    55    56    70.00000  107.45700
   54    52    53    80.00000  126.00000
   55    50    52    80.00000  119.00000
   45    40    41    35.00000  109.50000
   45    40    43    65.00000  111.94000
   47    45    46    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    42    48   2.26350  1.0 1.0
   33    38    42    48   0.76750 -1.0 2.0
   33    38    42    48   0.22500  1.0 3.0
   33    38    42    63   2.26350  1.0 1.0
   33    38    42    63   0.76750 -1.0 2.0
   33    38    42    63   0.22500  1.0 3.0
   33    40    43    44   0.00000  1.0 1.0
   33    40    43    50   0.09850  1.0 1.0
   33    40    43    50   0.15250 -1.0 2.0
   33    40    43    50  -0.50650  1.0 3.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    33    40    45  -0.30950  1.0 1.0
   38    33    40    45   1.11150 -1.0 2.0
   38    33    40    45   0.40350  1.0 3.0
   38    42    48    49   3.62500 -1.0 2.0
   38    42    48    51   3.62500 -1.0 2.0
   38    42    63    62   3.62500 -1.0 2.0
   38    42    63    65   3.62500 -1.0 2.0
   39    38    42    48   1.05000 -1.0 2.0
   39    38    42    63   1.05000 -1.0 2.0
   42    48    51    57   3.62500 -1.0 2.0
   42    48    51    59   3.62500 -1.0 2.0
   42    63    65    66   0.84100 -1.0 2.0
   48    42    63    62   3.62500 -1.0 2.0
   48    42    63    65   3.62500 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51   -57    62   3.62500 -1.0 2.0
   48    51    59    60   1.05000 -1.0 2.0
   48    51    59    61   1.05000 -1.0 2.0
   49    48    51    57   3.62500 -1.0 2.0
   49    48    51    59   3.62500 -1.0 2.0
   51    57    62    63   3.62500 -1.0 2.0
   51    57    62    64   3.62500 -1.0 2.0
   57    51    59    60   1.05000 -1.0 2.0
   57    51    59    61   1.05000 -1.0 2.0
   57    62   -63    42   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    42    48    49   3.62500 -1.0 2.0
   63    42   -48    51   3.62500 -1.0 2.0
   63    62    64    67   1.63200 -1.0 2.0
   64    62    63    42   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   59    51    57    62   3.62500 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   0.05850 -1.0 2.0
   40    33    38    42   0.17250  1.0 3.0
   40    43    50    52   7.00000 -1.0 2.0
   40    43    50    55   7.00000 -1.0 2.0
   41    40    43    44   0.33100  1.0 3.0
   41    40    43    50   0.00000  1.0 1.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    47   0.00000  1.0 1.0
   43    40    45    46   0.30150 -1.0 2.0
   43    40    45    47   0.30150 -1.0 2.0
   43    50    52    53  -0.04000 -1.0 2.0
   43    50    52    53  -0.29050  1.0 3.0
   43    50    52    54  -0.04000 -1.0 2.0
   43    50    52    54  -0.29050  1.0 3.0
   43    50    55    56  -0.66100  1.0 1.0
   43    50    55    56   1.20850 -1.0 2.0
   43    50    55    56  -0.36000  1.0 3.0
   44    43    50    52   7.00000 -1.0 2.0
   44    43    50    55   7.00000 -1.0 2.0
   52    50    55    56   2.00000 -1.0 2.0
   55    50    52    53   1.68800 -1.0 2.0
   55    50    52    54   1.68800 -1.0 2.0
   45    40    43    44   0.00000  1.0 1.0
   45    40    43    50  -0.51250  1.0 1.0
   45    40    43    50  -0.88800 -1.0 2.0
   45    40    43    50   0.08850  1.0 3.0
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    42    38    39  10.50000 -1.0 2.0
   48    63    42    38   4.00000 -1.0 2.0
   51    49    48    42   1.10000 -1.0 2.0
   57    59    51    48   4.00000 -1.0 2.0
   62    58    57    51   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   62    65    63    42   4.00000 -1.0 2.0
   60    51    59    61  10.50000 -1.0 2.0
   40    44    43    50  15.00000 -1.0 2.0
   52    55    50    43  15.00000 -1.0 2.0
   53    50    52    54  10.50000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
