* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    140    205     397
    1     0 S   NP   _N1_     1    29.82277    91.53142   -21.31910
    2     1 S   H    _HN1     2     1.03479   114.27772   -19.34142
    3     1 S   H    _H1_     3     1.03601   101.10234    93.21985
    4     1 S   H    _H2_     4     1.02731     7.51580   -52.06440
    5     1 S   CT   _CA1     5     1.50165   110.88264  -148.02817
    6     5 S   HC   _HA1     6     1.09690   104.54971    70.94376
    7     5 S   CO3  _C1_     7     1.54286   111.31311   -44.87105
    8     7 S   O2Z  _O11     8     1.26624   113.89031    61.88317
    9     7 S   O2Z  _O12     9     1.26072   116.75397  -117.61338
   10     5 S   CT   _CB1    10     1.52978   106.83518  -173.39734
   11    10 S   HC   HB11    11     1.09610   109.18109   -45.08452
   12    10 S   HC   HB12    12     1.09761   110.38005    71.18778
   13    10 S   CT   _CG1    13     1.52976   113.14037  -165.21059
   14    13 S   HC   HG11    14     1.09469   111.72539   -67.95693
   15    13 S   HC   HG12    15     1.09610   110.67188    51.50176
   16    13 S   C    _CD1    16     1.51449   109.92591   170.63781
   17    16 S   O    _OE1    17     1.22867   121.71463   -99.21485
   18    16 S   N    _N2_    18     1.38426   113.01266    79.30029
   19    18 S   H    _HN2    19     1.01615   119.02883     3.92994
   20    18 S   CT1  _CA2    20     1.46086   123.26195  -176.94424
   21    20 S   HC   _HA2    21     1.09567   109.12473     2.53860
   22    20 S   C    _C2_    22     1.53460   109.49565  -112.69012
   23    22 S   O    _O2_    23     1.23093   122.12354  -149.03583
   24    20 S   CT   _CB2    32     1.53427   111.71174   124.45961
   25    24 S   HC   HB21    33     1.09689   109.26187    65.68567
   26    24 S   HC   HB22    34     1.09473   111.10862  -177.70305
   27    22 S   N    _N3_    24     1.38305   113.90918    38.78434
   28    27 S   H    _HN3    25     1.01611   119.70480    -4.42642
   29    24 S   S    _SG2    35     1.82781   115.13916   -53.41153
   30    27 S   CT   _CA3    26     1.45325   122.88587   176.51266
   31    30 S   HC   HA31    27     1.09562   107.66606   -59.62234
   32    30 S   HC   HA32    28     1.09563   107.75035    56.71192
   33    29 S   CT   _C11    36     1.82723   101.67409   -62.25031
   34    33 S   HC   _H5_    37     1.09490   109.26002    54.54626
   35    30 S   CO3  _C3_    29     1.52889   114.30904   178.60058
   36    35 S   O2Z  _O31    30     1.26335   116.07993    -0.38866
   37    35 S   O2Z  _O32    31     1.26443   114.39712   179.62991
   38    33 S   CT   _C10    38     1.51891   114.15612   -69.98955
   39    38 S   HC   _H4_    39     1.09586   111.77719   -35.14691
   40    38 S   CO   _C9_    40     1.52808   102.07783  -154.76937
   41    40 S   HC   _H3_    41     1.09683   111.41296   -92.07187
   42    38 S   OH   _O45    76     1.42073   112.53588    86.43465
   43    42 S   HO   _H11    77     0.97250   108.58482    52.74180
   44    40 S   N*   _N7_    42     1.45140   114.05552   146.42576
   45    40 S   OS   _O34    57     1.43635   107.81620    25.26367
   46    44 S   CRAB _C4_    43     1.37472   125.29843   111.90607
   47    46 S   HA   _H7_    44     1.08178   122.35149     0.39117
   48    33 S   CT   _C12    58     1.52909   110.67844   175.69930
   49    48 S   HC   _H6_    59     1.09701   112.16755    41.12083
   50    46 S   NNA  _N4_    45     1.31894   112.31613  -179.56659
   51    48 S   CT   _C13    60     1.52449   112.93511   -84.38749
   52    51 S   HC   _H9_    61     1.09182   110.61000    46.20897
   53    51 S   HC   _H10    62     1.09466   111.12147   -74.39360
   54    50 S   CB   _C5_    46     1.36474   104.03363     0.17359
   55    51 S   OS   _O35    63     1.42521   109.49931   167.25010
   56    44 S   CN   _C8_    47     1.36610   127.93423   -67.26508
   57    55 S   P2   _P1_    64     1.63731   118.75837  -119.99570
   58    57 S   O2Z  _O37    65     1.51222   107.93509   176.61014
   59    57 S   O2Z  _O36    66     1.51547   108.62339   -51.29298
   60    56 S   NNC  _N6_    48     1.35125   126.74503    -0.18557
   61    57 S   OS   _O38    67     1.62708    98.95013    62.77557
   62    60 S   CDX  _C7_    49     1.31196   113.68679   179.85735
   63    61 S   P2   _P2_    68     1.62638   131.04438  -173.79575
   64    63 S   O2Z  _O40    69     1.51564   108.33144    68.78595
   65    63 S   O2Z  _O39    70     1.51176   109.39088   -63.83994
   66    62 S   NNB  _N5_    50     1.40745   122.64679    -0.17583
   67    66 S   H    _H8_    51     1.01356   117.79046  -179.95154
   68    62 S   NND  _N8_    54     1.36537   121.54131   179.80416
   69    68 S   H    _H12    55     1.02196   119.91910    -0.81517
   70    68 S   H    _H13    56     1.01147   122.93176   179.94405
   71    63 S   OS   _O41    71     1.62697    99.41413  -178.96599
   72    54 S   C    _C6_    52     1.43921   128.95363   179.69162
   73    72 S   O    _O33    53     1.22518   124.09707     0.30710
   74    71 S   P3   _P3_    72     1.64028   132.74993    70.44112
   75    74 S   O2Z  _O43    73     1.52611   103.75961  -171.42430
   76    74 S   O2Z  _O44    74     1.52384   104.97166   -51.75888
   77    74 S   O2Z  _O42    75     1.52447   104.80491    69.04397
  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  10   5   4   3
  15   8   2   1   1  12   7  14   6   4   1  10   8   6   3   6
   4   6   7   3   2   7   5   6   7   3   2   7   5   7   7   3
   2   6   3   3   1   1   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    51    52    53    55    42    43  
   38    39    40    45    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    46    56    45    48    49    51    42    43  
   40    41    44    45    48    42    43  
   41    44    46    47    50    54    56    60    45    48    49    51    42    43  
   44    46    56    45    48    42  
   43    44    45    48  
    0  
   46    47    50    54    56    60    62    72    45    48  
   48    49    51    52    53    55    46    56  
   47    50    54    56    60    72  
   50    54    56  
   49    51    52    53    55    57  
   51    52    53    55  
   54    56    60    66    72    73  
   52    53    55    57    58    59    61  
   53    55    57  
   55    57  
   56    60    62    66    67    72    73  
   57    58    59    61    63  
   60    62    66    72    73    68  
   58    59    61    63    64    65    71  
   59    61    63  
   61    63  
   62    66    67    72    68    69    70  
   63    64    65    71    74  
   66    67    72    73    68    69    70  
   64    65    71    74    75    76    77  
   65    71    74  
   71    74  
   67    72    73    68    69    70  
   72    73    68  
   69    70    72  
   70  
    0  
   74    75    76    77  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   51   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   61   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   63   3.7400   0.2000   1.841100   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   66   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   68   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   69   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.663300   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   76   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   77   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   275.000  1.479
   40    45   320.000  1.380
   44    46   440.000  1.371
   44    56   436.000  1.374
   46    47   367.000  1.080
   46    50   529.000  1.304
   50    54   414.000  1.391
   54    56   520.000  1.370
   54    72   447.000  1.419
   56    60   461.000  1.354
   60    62   585.000  1.311
   62    66   427.000  1.381
   62    68   481.000  1.340
   66    67   434.000  1.010
   66    72   418.000  1.388
   72    73   570.000  1.229
   68    69   434.000  1.010
   68    70   434.000  1.010
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   55    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    61   230.000  1.697
   61    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    71   230.000  1.697
   71    74   230.000  1.630
   74    75   525.000  1.516
   74    76   525.000  1.516
   74    77   525.000  1.516
   42    43   553.000  0.945
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  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    48    45    50.00000  109.50000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    44    75.00000  107.44000
   38    40    45    90.00000  108.56700
   38    42    43    55.00000  108.50000
   40    38    39    45.00000  108.72000
   40    44    46    70.00000  128.80000
   40    44    56    70.00000  125.80000
   40    45    48    60.00000  109.50000
   44    40    41    55.00000  103.44000
   44    46    47    35.00000  123.05000
   44    46    50    70.00000  113.90000
   44    56    54    70.00000  106.20000
   44    56    60    70.00000  126.20000
   46    50    54    70.00000  103.80000
   50    46    47    35.00000  123.05000
   50    54    56    70.00000  110.40000
   50    54    72    70.00000  130.00000
   54    56    60    70.00000  127.70000
   54    72    66    70.00000  111.30000
   54    72    73    80.00000  128.80000
   56    44    46    70.00000  105.40000
   56    60    62    70.00000  112.20000
   60    62    66    70.00000  123.30000
   60    62    68    70.00000  119.30000
   62    66    67    35.00000  118.00000
   62    66    72    70.00000  125.20000
   62    68    69    35.00000  120.00000
   62    68    70    35.00000  120.00000
   66    72    73    80.00000  120.60000
   72    54    56    85.00000  119.20000
   72    66    67    35.00000  116.80000
   68    62    66    70.00000  116.00000
   70    68    69    35.00000  120.00000
   45    40    41    35.00000  109.50000
   45    40    44   105.00000  106.22000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    50.00000  109.50000
   51    48    49    37.50000  110.70000
   51    55    57   100.00000  120.50000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    57    58   100.00000  108.23000
   55    57    59   100.00000  108.23000
   55    57    61    45.00000  102.60000
   57    61    63    50.00000  132.62000
   59    57    58   140.00000  119.90000
   61    57    58   100.00000  108.23000
   61    57    59   100.00000  108.23000
   61    63    64   100.00000  108.23000
   61    63    65   100.00000  108.23000
   61    63    71    45.00000  102.60000
   63    71    74    45.00000  143.19000
   65    63    64   140.00000  119.90000
   71    63    64   100.00000  108.23000
   71    63    65   100.00000  108.23000
   71    74    75   100.00000  107.00000
   71    74    76   100.00000  107.00000
   71    74    77   100.00000  107.00000
   76    74    75   140.00000  114.00000
   77    74    75   140.00000  114.00000
   77    74    76   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  111.58700
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.64600  1.0 1.0
   33    38    40    44   0.58400 -1.0 2.0
   33    38   -40    45   0.62750  1.0 1.0
   33    38   -40    45  -0.30950 -1.0 2.0
   33    38   -40    45   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.62750  1.0 1.0
   33    48    51    55  -0.30950 -1.0 2.0
   33    48    51    55   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    45   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    45   0.62750  1.0 1.0
   38    33   -48    45  -0.30950 -1.0 2.0
   38    33   -48    45   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    40    44    46   1.10250  1.0 1.0
   38    40    44    46   0.01650 -1.0 2.0
   38    40    44    46   0.39100  1.0 3.0
   38    40    44    56   1.10250  1.0 1.0
   38    40    44    56   0.01650 -1.0 2.0
   38    40    44    56   0.39100  1.0 3.0
   38    40   -45    48   0.06250  1.0 1.0
   38    40   -45    48  -0.01100 -1.0 2.0
   38    40   -45    48   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    46    47   3.62500 -1.0 2.0
   40    44    46    50   3.62500 -1.0 2.0
   40    44    56    54   0.81400  1.0 1.0
   40    44    56    54   1.55550 -1.0 2.0
   40    44    56    60   3.62500 -1.0 2.0
   40    45   -48    33   0.06250  1.0 1.0
   40    45   -48    33  -0.01100 -1.0 2.0
   40    45   -48    33   0.28050  1.0 3.0
   40    45    48    49   0.37050  1.0 3.0
   40    45    48    51   0.06250  1.0 1.0
   40    45    48    51  -0.01100 -1.0 2.0
   40    45    48    51   0.28050  1.0 3.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    44    56   0.00000  1.0 1.0
   41    40    45    48   0.37050  1.0 3.0
   44    40    45    48  -2.37750  1.0 1.0
   44    40    45    48  -0.08150 -1.0 2.0
   44    40    45    48   0.59000  1.0 3.0
   44    46   -50    54   3.62500 -1.0 2.0
   44    56    60    62   1.25000 -1.0 2.0
   46    44   -56    54   0.70250  1.0 1.0
   46    44   -56    54   1.56150 -1.0 2.0
   46    44    56    60   3.62500 -1.0 2.0
   46    50   -54    56   3.62500 -1.0 2.0
   46    50    54    72   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54   -56    44   3.62500 -1.0 2.0
   50    54    56    60   3.62500 -1.0 2.0
   50    54    72    66   5.37500 -1.0 2.0
   50    54    72    73   0.41000 -1.0 2.0
   54    56    60    62   3.62500 -1.0 2.0
   56    44    46    47   3.62500 -1.0 2.0
   56    44   -46    50   3.62500 -1.0 2.0
   56    54    72    66   1.50000 -1.0 2.0
   56    54    72    73   1.05000 -1.0 2.0
   56    60   -62    66   3.62500 -1.0 2.0
   56    60    62    68   3.62500 -1.0 2.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    72   3.62500 -1.0 2.0
   60    62    68    69   0.70000 -1.0 2.0
   60    62    68    70   0.70000 -1.0 2.0
   62    66   -72    54   1.52500 -1.0 2.0
   62    66    72    73   3.04450 -1.0 2.0
   66    62    68    69   1.01500 -1.0 2.0
   66    62    68    70   1.01500 -1.0 2.0
   67    66    72    54   1.52500 -1.0 2.0
   67    66    72    73   2.45000 -1.0 2.0
   72    54    56    44   3.62500 -1.0 2.0
   72    54   -56    60   3.62500 -1.0 2.0
   68    62    66    67   3.62500 -1.0 2.0
   68    62    66    72   3.62500 -1.0 2.0
   45    40    44    46   0.10350  1.0 1.0
   45    40    44    46  -0.15350 -1.0 2.0
   45    40    44    56   0.10350  1.0 1.0
   45    40    44    56  -0.15350 -1.0 2.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    51    55   1.11900  1.0 1.0
   45    48    51    55  -1.16350 -1.0 2.0
   45    48    51    55  -0.34150  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    57  -2.65550  1.0 1.0
   48    51    55    57  -0.22350 -1.0 2.0
   48    51    55    57   0.24150  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.23400  1.0 3.0
   51    55    57    58   0.00000  1.0 1.0
   51    55    57    59   0.00000  1.0 1.0
   51    55    57    61   0.05050  1.0 1.0
   51    55    57    61  -1.30700 -1.0 2.0
   51    55    57    61   0.91550  1.0 3.0
   52    51    55    57   0.03000  1.0 3.0
   53    51    55    57   0.03000  1.0 3.0
   55    57    61    63   0.15000  1.0 3.0
   57    61    63    64   0.50000  1.0 3.0
   57    61    63    65   0.50000  1.0 3.0
   57    61    63    71   0.15000  1.0 3.0
   58    57    61    63   0.50000  1.0 3.0
   59    57    61    63   0.50000  1.0 3.0
   61    63    71    74   0.15000  1.0 3.0
   63    71    74    75   0.50000  1.0 3.0
   63    71    74    76   0.50000  1.0 3.0
   63    71    74    77   0.50000  1.0 3.0
   64    63    71    74   0.50000  1.0 3.0
   65    63    71    74   0.50000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   2.76900  1.0 1.0
   42    38    40    44  -0.24350 -1.0 2.0
   42    38    40    44  -0.78250  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -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
   46    56    44    40   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   56    72    54    50   4.00000 -1.0 2.0
   54    60    56    44   4.00000 -1.0 2.0
   66    68    62    60  10.50000 -1.0 2.0
   67    62    66    72   1.00000 -1.0 2.0
   54    66    72    73  10.50000 -1.0 2.0
   70    62    68    69   1.00000 -1.0 2.0
END
