* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    233     436
    1     0 S   NP   _N1_     1    29.38612    92.22969   -23.04322
    2     1 S   H    _HN1     2     1.02773   104.40356   -80.13892
    3     1 S   H    _H1_     3     1.02966    94.70038    30.16288
    4     1 S   H    _H2_     4     1.02827    15.33280   174.39734
    5     1 S   CT   _CA1     5     1.50150   124.80252   148.94185
    6     5 S   HC   _HA1     6     1.09580   105.19498    66.12183
    7     5 S   CO3  _C1_     7     1.53781   112.43777   -53.91935
    8     7 S   O2Z  _O11     8     1.26351   115.01727   -41.70356
    9     7 S   O2Z  _O12     9     1.26253   114.91640   137.36109
   10     5 S   CT   _CB1    10     1.53076   107.35959  -176.08809
   11    10 S   HC   HB11    11     1.09820   109.16823   -51.44355
   12    10 S   HC   HB12    12     1.09821   110.42571    65.01612
   13    10 S   CT   _CG1    13     1.53011   112.80162  -172.67306
   14    13 S   HC   HG11    14     1.09596   110.29424   -64.97411
   15    13 S   HC   HG12    15     1.09642   110.13045    54.27517
   16    13 S   C    _CD1    16     1.51793   112.25584   174.39825
   17    16 S   O    _OE1    17     1.22744   123.22280    -7.98011
   18    16 S   N    _N2_    18     1.38690   111.73954   172.74193
   19    18 S   H    _HN2    19     1.01580   119.11727     1.47936
   20    18 S   CT1  _CA2    20     1.46056   123.20529  -179.06686
   21    20 S   HC   _HA2    21     1.09578   109.25562    -6.27148
   22    20 S   C    _C2_    22     1.53448   108.95853  -121.42814
   23    22 S   O    _O2_    23     1.23042   122.05389  -147.97419
   24    20 S   CT   _CB2    32     1.53461   111.80848   115.94299
   25    24 S   HC   HB21    33     1.09658   109.56461    64.67095
   26    24 S   HC   HB22    34     1.09578   110.75181  -178.12863
   27    22 S   N    _N3_    24     1.38457   113.55515    39.60535
   28    27 S   H    _HN3    25     1.01507   118.94386    -0.79648
   29    24 S   S    _SG2    35     1.82899   114.98701   -55.09379
   30    27 S   CT   _CA3    26     1.45442   123.44581   174.74581
   31    30 S   HC   HA31    27     1.09523   109.22619    24.81835
   32    30 S   HC   HA32    28     1.09494   107.13364   141.84355
   33    29 S   CT   _C18    36     1.82734    99.97503   -65.65232
   34    33 S   HC   _H3_    37     1.09454   107.17827   -59.87632
   35    33 S   HC   _H4_    38     1.09251   108.78164    58.16303
   36    30 S   CO3  _C3_    29     1.52933   113.09671   -98.63114
   37    36 S   O2Z  _O31    30     1.26404   115.41613   -44.07533
   38    36 S   O2Z  _O32    31     1.26355   114.97485   136.84062
   39    33 S   CT   _C11    39     1.52749   111.20024   179.77445
   40    39 S   HC   _H28    40     1.09913   110.36019    43.07754
   41    39 S   CO4  _C6_    41     1.51363   114.07818   -77.45588
   42    41 S   O    _O16    42     1.22022   126.98757    33.31405
   43    41 S   OS   _O17    43     1.36843   109.06737  -148.42565
   44    43 S   CT   _C9_    44     1.44141   109.74099    -0.24945
   45    44 S   HC   _H26    45     1.10049   106.04406   -88.25993
   46    44 S   CM   _C4_    46     1.49533   107.44624   159.35219
   47    46 S   HC   _H21    47     1.09283   110.30532    71.20494
   48    39 S   CT   _C12    56     1.54347   115.53062   166.20634
   49    48 S   HC   _H29    57     1.09776   109.14464   -84.26897
   50    46 S   CM   _C5_    48     1.34552   133.94664  -106.27435
   51    50 S   CT   _C10    49     1.51239   127.26858     0.48051
   52    51 S   HC   _H27    50     1.10045   105.59247    96.93161
   53    50 S   CT   _C16    72     1.51562   117.69230   174.72177
   54    53 S   HC   _H32    73     1.09409   110.84933   113.72933
   55    53 S   HC   _H33    74     1.09553   112.70547    -6.37741
   56    53 S   HC   _H34    75     1.09534   110.22226  -125.71942
   57    51 S   CT   _C13    51     1.53408   118.82531   -25.23886
   58    57 S   HC   _H30    52     1.10083   109.49558   -58.96347
   59    57 S   CT   _C7_    53     1.52676   114.77254    62.00533
   60    59 S   HC   _H22    54     1.09514   107.49834   155.97522
   61    59 S   HC   _H23    55     1.09655   111.12003    39.04269
   62    57 S   CT   _C15    58     1.55241   102.67073  -172.84793
   63    62 S   CT   _C8_    59     1.54530   104.73202    33.35194
   64    63 S   HC   _H24    60     1.09648   110.38966  -124.95048
   65    63 S   HC   _H25    61     1.09562   112.02581   114.80927
   66    62 S   CT   _C17    66     1.53304   115.11669   -88.46406
   67    66 S   HC   _H35    67     1.09500   111.54323   -67.24853
   68    66 S   HC   _H36    68     1.09657   110.42509   175.55001
   69    66 S   HC   _H37    69     1.09413   112.15754    54.95675
   70    62 S   OH   _O19    70     1.42679   108.49368   150.64836
   71    70 S   HO   _H41    71     0.97253   107.92860  -175.58385
   72    51 S   CT   _C14    62     1.54560   115.62539  -144.71768
   73    72 S   HC   _H31    63     1.09487   112.70933   -67.93317
   74    72 S   OH   _O18    64     1.42634   110.61329    53.57803
   75    74 S   HO   _H40    65     0.97240   107.49090   178.77124
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4   9
   4  14  20   9   5   2   1   1  17   8   7   2   1  12  12   6
   5   6   3   2   1   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    59    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    57    59    60    61    48    49  
   41    42    43    44    59    48    49  
   42    43    44    45    46    59    48    49  
   43    44    48  
   44    45    46    47    50    59    48    49  
   45    46    47    50    51    57    59    60    61    48    49    53  
   46    47    50    59    48    49  
   47    50    51    52    57    59    48    49    72    53    54    55    56  
   50    51    48    53  
   49    62    50    51    57    58    59    60    61  
   57    59    60    61  
   51    52    57    58    59    62    63    72    73    74    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    72    73    74    75    66    70    53    54    55    56  
   57    58    59    62    63    72    73    74    53  
   54    55    56    57    72  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    72    73    74    66    67    68    69    70    71  
   59    60    61    62    63    72    66    70  
   60    61    62    63    72    66    70  
   61    62  
   62  
   63    64    65    72    73    74    66    67    68    69    70    71  
   64    65    72    73    74    75    66    67    68    69    70    71  
   65    72    73    74    66    70  
   72    73    74    66    70  
   67    68    69    70    71    72  
   68    69    70  
   69    70  
   70  
   71    72  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    72   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    48   268.000  1.529
   48    49   340.000  1.090
   62    63   268.000  1.529
   62    66   268.000  1.529
   62    70   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   268.000  1.529
   72    73   340.000  1.090
   72    74   320.000  1.410
   74    75   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    59    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    59    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    72    70.00000  112.02700
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    58.35000  112.70000
   51    57    62    58.35000  112.70000
   51    72    63    58.35000  112.70000
   51    72    73    37.50000  110.70000
   51    72    74    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    48    58.35000  112.70000
   57    62    63    58.35000  112.70000
   57    62    66    58.35000  112.70000
   57    62    70    50.00000  109.50000
   59    57    58    37.50000  110.70000
   59    48    49    37.50000  110.70000
   61    59    60    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    59    60    37.50000  110.70000
   48    59    61    37.50000  110.70000
   62    57    58    37.50000  110.70000
   62    57    59    58.35000  112.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    72    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    55.00000  108.50000
   63    72    73    37.50000  110.70000
   63    72    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   72    51    52    37.50000  110.70000
   72    51    57    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    65    37.50000  110.70000
   72    74    75    55.00000  108.50000
   74    72    73    35.00000  109.50000
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    63    50.00000  109.50000
   70    62    66    50.00000  109.50000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    59   0.56750  1.0 1.0
   33    39    48    59  -0.07550 -1.0 2.0
   33    39    48    59   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    59   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    59  -0.95700  1.0 1.0
   41    39    48    59  -0.18200 -1.0 2.0
   41    39    48    59   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    59   0.62750  1.0 1.0
   43    44    48    59  -0.30950 -1.0 2.0
   43    44    48    59   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    59   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    59   0.34400  1.0 1.0
   46    44    48    59   0.09450 -1.0 2.0
   46    44    48    59   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    72   0.09850  1.0 1.0
   46    50    51    72   0.15250 -1.0 2.0
   46    50    51    72  -0.50650  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.34400  1.0 1.0
   50    51    57    59   0.09450 -1.0 2.0
   50    51    57    59   0.11100  1.0 3.0
   50    51    57    62   0.34400  1.0 1.0
   50    51    57    62   0.09450 -1.0 2.0
   50    51    57    62   0.11100  1.0 3.0
   50    51    72    63   0.34400  1.0 1.0
   50    51    72    63   0.09450 -1.0 2.0
   50    51    72    63   0.11100  1.0 3.0
   50    51    72    73   0.15000  1.0 3.0
   50    51    72    74   1.05650  1.0 1.0
   50    51    72    74   0.15600 -1.0 2.0
   50    51    72    74   0.53150  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    61   0.15000  1.0 3.0
   51    57    59    48   0.56750  1.0 1.0
   51    57    59    48  -0.07550 -1.0 2.0
   51    57    59    48   0.20000  1.0 3.0
   51    57   -62    63   0.56750  1.0 1.0
   51    57   -62    63  -0.07550 -1.0 2.0
   51    57   -62    63   0.20000  1.0 3.0
   51    57    62    66   0.56750  1.0 1.0
   51    57    62    66  -0.07550 -1.0 2.0
   51    57    62    66   0.20000  1.0 3.0
   51    57    62    70   0.86500  1.0 1.0
   51    57    62    70  -0.17500 -1.0 2.0
   51    57    62    70   0.20800  1.0 3.0
   51    72    74    75  -0.11600  1.0 1.0
   51    72    74    75  -0.09450 -1.0 2.0
   51    72    74    75   0.21250  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   52    51    72    63   0.15000  1.0 3.0
   52    51    72    73   0.15000  1.0 3.0
   52    51    72    74   0.23400  1.0 3.0
   57    51   -72    63   0.56750  1.0 1.0
   57    51   -72    63  -0.07550 -1.0 2.0
   57    51   -72    63   0.20000  1.0 3.0
   57    51    72    73   0.15000  1.0 3.0
   57    51    72    74   0.86500  1.0 1.0
   57    51    72    74  -0.17500 -1.0 2.0
   57    51    72    74   0.20800  1.0 3.0
   57    59    48    39   0.56750  1.0 1.0
   57    59    48    39  -0.07550 -1.0 2.0
   57    59    48    39   0.20000  1.0 3.0
   57    59    48    44   0.56750  1.0 1.0
   57    59    48    44  -0.07550 -1.0 2.0
   57    59    48    44   0.20000  1.0 3.0
   57    59    48    49   0.15000  1.0 3.0
   57    62    63    64   0.15000  1.0 3.0
   57    62    63    65   0.15000  1.0 3.0
   57    62   -63    72   0.56750  1.0 1.0
   57    62   -63    72  -0.07550 -1.0 2.0
   57    62   -63    72   0.20000  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    68   0.15000  1.0 3.0
   57    62    66    69   0.15000  1.0 3.0
   57    62    70    71  -0.11600  1.0 1.0
   57    62    70    71  -0.09450 -1.0 2.0
   57    62    70    71   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    48   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    66   0.15000  1.0 3.0
   58    57    62    70   0.23400  1.0 3.0
   59    57    62    63   0.56750  1.0 1.0
   59    57    62    63  -0.07550 -1.0 2.0
   59    57    62    63   0.20000  1.0 3.0
   59    57    62    66   0.56750  1.0 1.0
   59    57    62    66  -0.07550 -1.0 2.0
   59    57    62    66   0.20000  1.0 3.0
   59    57    62    70   0.86500  1.0 1.0
   59    57    62    70  -0.17500 -1.0 2.0
   59    57    62    70   0.20800  1.0 3.0
   60    59    48    39   0.15000  1.0 3.0
   60    59    48    44   0.15000  1.0 3.0
   60    59    48    49   0.15000  1.0 3.0
   61    59    48    39   0.15000  1.0 3.0
   61    59    48    44   0.15000  1.0 3.0
   61    59    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    48   0.56750  1.0 1.0
   62    57    59    48  -0.07550 -1.0 2.0
   62    57    59    48   0.20000  1.0 3.0
   62    63   -72    51   0.56750  1.0 1.0
   62    63   -72    51  -0.07550 -1.0 2.0
   62    63   -72    51   0.20000  1.0 3.0
   62    63    72    73   0.15000  1.0 3.0
   62    63    72    74   0.86500  1.0 1.0
   62    63    72    74  -0.17500 -1.0 2.0
   62    63    72    74   0.20800  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    70    71  -0.11600  1.0 1.0
   63    62    70    71  -0.09450 -1.0 2.0
   63    62    70    71   0.21250  1.0 3.0
   63    72    74    75  -0.11600  1.0 1.0
   63    72    74    75  -0.09450 -1.0 2.0
   63    72    74    75   0.21250  1.0 3.0
   64    63    72    51   0.15000  1.0 3.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    74   0.23400  1.0 3.0
   65    63    72    51   0.15000  1.0 3.0
   65    63    72    73   0.15000  1.0 3.0
   65    63    72    74   0.23400  1.0 3.0
   72    51    57    58   0.15000  1.0 3.0
   72    51    57    59   0.56750  1.0 1.0
   72    51    57    59  -0.07550 -1.0 2.0
   72    51    57    59   0.20000  1.0 3.0
   72    51   -57    62   0.56750  1.0 1.0
   72    51   -57    62  -0.07550 -1.0 2.0
   72    51   -57    62   0.20000  1.0 3.0
   73    72    74    75   0.19450  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    72   0.56750  1.0 1.0
   66    62    63    72  -0.07550 -1.0 2.0
   66    62    63    72   0.20000  1.0 3.0
   66    62    70    71  -0.11600  1.0 1.0
   66    62    70    71  -0.09450 -1.0 2.0
   66    62    70    71   0.21250  1.0 3.0
   70    62    63    64   0.23400  1.0 3.0
   70    62    63    65   0.23400  1.0 3.0
   70    62    63    72   0.86500  1.0 1.0
   70    62    63    72  -0.17500 -1.0 2.0
   70    62    63    72   0.20800  1.0 3.0
   70    62    66    67   0.23400  1.0 3.0
   70    62    66    68   0.23400  1.0 3.0
   70    62    66    69   0.23400  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    72   0.46850  1.0 1.0
   53    50    51    72   0.08550 -1.0 2.0
   53    50    51    72   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
END
