* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     425
    1     0 S   NP   _N1_     1    28.79723    95.02022   -24.81979
    2     1 S   H    _HN1     2     1.02829    29.47562  -174.23506
    3     1 S   H    _H1_     3     1.02783   112.22679   -87.02392
    4     1 S   H    _H2_     4     1.02951    78.28404    18.20444
    5     1 S   CT   _CA1     5     1.50111   128.53952   125.06273
    6     5 S   HC   _HA1     6     1.09572   105.21207    86.54480
    7     5 S   CO3  _C1_     7     1.53795   112.42499   -33.71032
    8     7 S   O2Z  _O11     8     1.26372   115.00669   -43.23126
    9     7 S   O2Z  _O12     9     1.26238   114.94448   135.91357
   10     5 S   CT   _CB1    10     1.53082   107.42452  -155.47236
   11    10 S   HC   HB11    11     1.09831   109.39896   -49.82029
   12    10 S   HC   HB12    12     1.09814   110.43227    66.78789
   13    10 S   CT   _CG1    13     1.52987   112.59984  -170.81258
   14    13 S   HC   HG11    14     1.09587   110.59037   -64.72746
   15    13 S   HC   HG12    15     1.09667   109.83568    54.50540
   16    13 S   C    _CD1    16     1.51798   112.26309   174.95943
   17    16 S   O    _OE1    17     1.22728   123.30126     4.76908
   18    16 S   N    _N2_    18     1.38650   111.64259  -175.36697
   19    18 S   H    _HN2    19     1.01585   118.94740     1.85203
   20    18 S   CT1  _CA2    20     1.46190   123.37713   178.21820
   21    20 S   HC   _HA2    21     1.09735   109.37352     0.08847
   22    20 S   C    _C2_    22     1.53497   108.61180  -115.42039
   23    22 S   O    _O2_    23     1.23054   122.27968  -148.09101
   24    20 S   CT   _CB2    32     1.53332   111.54069   122.07601
   25    24 S   HC   HB21    33     1.09503   109.98077    56.68938
   26    24 S   HC   HB22    34     1.09521   110.19015   175.64567
   27    22 S   N    _N3_    24     1.38331   113.66063    39.36951
   28    27 S   H    _HN3    25     1.01601   119.56339    -3.44804
   29    24 S   S    _SG2    35     1.82779   111.46556   -64.71898
   30    27 S   CT   _CA3    26     1.45289   123.18315   177.04932
   31    30 S   HC   HA31    27     1.09550   107.51682   -64.25150
   32    30 S   HC   HA32    28     1.09557   107.96921    52.17456
   33    29 S   CT   _C15    36     1.83077    99.60135   179.13702
   34    33 S   HC   _H3_    37     1.09606   106.18120    45.31066
   35    30 S   CO3  _C3_    29     1.52952   114.10285   174.16575
   36    35 S   O2Z  _O31    30     1.26373   116.06468    -0.73409
   37    35 S   O2Z  _O32    31     1.26429   114.41178   179.32740
   38    33 S   CT   _C8_    38     1.53044   112.96361   -74.70950
   39    38 S   HC   _H23    39     1.09532   110.49021   147.52254
   40    38 S   HC   _H24    40     1.09233   114.38640    23.26592
   41    38 S   CO4  _C6_    41     1.51177   104.00416   -97.35956
   42    41 S   O    _O17    42     1.22669   122.10050   168.25685
   43    41 S   CT   _C16    43     1.53522   113.21919    -9.54028
   44    33 S   CT   _C11    44     1.54827   115.93512   166.92761
   45    44 S   HC   _H28    45     1.09943   101.53077  -162.58737
   46    43 S   CT   _C14    62     1.57226   115.51405  -135.00932
   47    46 S   HC   _H31    63     1.09821   109.18438  -134.97910
   48    43 S   CT   _C18    70     1.54443   104.88381   106.08674
   49    48 S   HC   _H36    71     1.09281   112.33672  -164.02784
   50    48 S   HC   _H37    72     1.09743   110.35188    76.35013
   51    48 S   HC   _H38    73     1.09277   113.15342   -41.37892
   52    44 S   CT   _C12    46     1.53873   118.00620   -47.66402
   53    52 S   HC   _H29    47     1.09646   109.87904    57.54547
   54    46 S   OH   _O19    64     1.43072   110.24453   -19.83316
   55    54 S   HO   _H39    65     0.97319   108.04545   -50.22927
   56    52 S   CT   _C9_    48     1.53860   112.49904   176.08884
   57    56 S   HC   _H25    49     1.09926   109.24387   167.62707
   58    56 S   HC   _H26    50     1.09680   109.75325   -80.11043
   59    52 S   CT   _C17    66     1.53550   110.97139   -60.36931
   60    59 S   HC   _H33    67     1.09496   111.49783   -59.09939
   61    59 S   HC   _H34    68     1.09539   110.77980  -179.29640
   62    59 S   HC   _H35    69     1.09410   111.42022    61.59498
   63    56 S   CT   _C13    51     1.53243   116.58850    44.28631
   64    63 S   HC   _H30    52     1.09764   109.31611    64.09880
   65    63 S   CT   _C10    53     1.53807   118.25069   -62.72209
   66    65 S   HC   _H27    54     1.09695   110.77375   105.18269
   67    65 S   CM   _C4_    55     1.49727    99.83453  -141.34080
   68    67 S   CO4  _C5_    56     1.47038   110.01491    19.89546
   69    68 S   O    _O16    57     1.21722   127.21250   169.73643
   70    67 S   CM   _C7_    59     1.33650   128.45250  -156.24442
   71    70 S   HC   _H21    60     1.08506   120.73381    -2.11304
   72    70 S   HC   _H22    61     1.08504   121.85228   177.97687
   73    63 S   OS   _O18    58     1.44832   105.86766   178.35837
  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  10   5   4  13   4  18  19   6  17   7   6
   2   1   1  12   8   5   1  13   6   5   4   2   1   1   8   5
   8   4   6   5   2   3   1   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    56    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    65    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    56    63    65    66    67    46    47    54    55    59    48    49    50    51  
   45    52    53    56    57    58    63    65    46    47    54    59    60    61    62    48    49    50    51  
   52    53    56    46    59    48  
   47    54    55    48    49    50    51    52    56    63    64    65    66    67    68    70    73  
   54    55    48    63    65    66    67  
   49    50    51    52    54    65  
   50    51  
   51  
    0  
   53    56    57    58    63    64    65    73    59    60    61    62  
   56    57    58    63    59    60    61    62  
   55    63    65    66    67  
   65  
   57    58    63    64    65    66    67    68    73    59    60    61    62  
   58    63    64    65    73    59  
   63    64    65    73    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    73    70  
   65    66    67    68    73  
   66    67    68    69    73    70    71    72  
   67    68    73    70  
   68    69    73    70    71    72  
   69    73    70    71    72  
   73    70  
   71    72    73  
   72  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    73   320.000  1.410
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    46   268.000  1.529
   67    68   320.000  1.462
   67    70   549.000  1.340
   68    69   570.000  1.229
   68    73   214.000  1.327
   70    71   340.000  1.080
   70    72   340.000  1.080
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    65    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    56    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   56    52    53    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    58.35000  112.70000
   56    63    73    50.00000  109.50000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    70.00000  112.02700
   63    65    46    58.35000  112.70000
   63    73    68    83.00000  116.90000
   65    63    64    37.50000  110.70000
   65    67    68    65.00000  116.34900
   65    67    70    70.00000  124.00000
   65    46    47    37.50000  110.70000
   65    46    54    50.00000  109.50000
   67    65    66    35.00000  109.50000
   67    68    69    80.00000  123.72100
   67    68    73    90.00000  111.29400
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   73    63    64    35.00000  109.50000
   73    63    65    50.00000  109.50000
   73    68    69    83.00000  123.40000
   70    67    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    65    67    70.00000  112.02700
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   59    52    53    37.50000  110.70000
   59    52    56    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    56   0.56750  1.0 1.0
   33    44    52    56  -0.07550 -1.0 2.0
   33    44    52    56   0.20000  1.0 3.0
   33    44    52    59   0.56750  1.0 1.0
   33    44    52    59  -0.07550 -1.0 2.0
   33    44    52    59   0.20000  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    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    65  -0.95700  1.0 1.0
   41    43    46    65  -0.18200 -1.0 2.0
   41    43    46    65   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    56   0.56750  1.0 1.0
   43    44    52    56  -0.07550 -1.0 2.0
   43    44    52    56   0.20000  1.0 3.0
   43    44    52    59   0.56750  1.0 1.0
   43    44    52    59  -0.07550 -1.0 2.0
   43    44    52    59   0.20000  1.0 3.0
   43    46    54    55  -0.11600  1.0 1.0
   43    46    54    55  -0.09450 -1.0 2.0
   43    46    54    55   0.21250  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    65   0.56750  1.0 1.0
   44    43    46    65  -0.07550 -1.0 2.0
   44    43    46    65   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.86500  1.0 1.0
   44    43    46    54  -0.17500 -1.0 2.0
   44    43    46    54   0.20800  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    56    57   0.15000  1.0 3.0
   44    52    56    58   0.15000  1.0 3.0
   44    52    56    63   0.56750  1.0 1.0
   44    52    56    63  -0.07550 -1.0 2.0
   44    52    56    63   0.20000  1.0 3.0
   44    52    59    60   0.15000  1.0 3.0
   44    52    59    61   0.15000  1.0 3.0
   44    52    59    62   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    56   0.15000  1.0 3.0
   45    44    52    59   0.15000  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.56750  1.0 1.0
   52    56    63    65  -0.07550 -1.0 2.0
   52    56    63    65   0.20000  1.0 3.0
   52    56    63    73   0.62750  1.0 1.0
   52    56    63    73  -0.30950 -1.0 2.0
   52    56    63    73   0.27300  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    63   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   56    52    59    60   0.15000  1.0 3.0
   56    52    59    61   0.15000  1.0 3.0
   56    52    59    62   0.15000  1.0 3.0
   56    63    65    66   0.15000  1.0 3.0
   56    63    65    67   0.34400  1.0 1.0
   56    63    65    67   0.09450 -1.0 2.0
   56    63    65    67   0.11100  1.0 3.0
   56    63    65    46   0.56750  1.0 1.0
   56    63    65    46  -0.07550 -1.0 2.0
   56    63    65    46   0.20000  1.0 3.0
   56    63    73    68  -0.25900  1.0 1.0
   56    63    73    68  -0.47000 -1.0 2.0
   56    63    73    68   0.11750  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    73   0.23400  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    73   0.23400  1.0 3.0
   63    65   -67    68   0.09700  1.0 1.0
   63    65   -67    68   0.15600 -1.0 2.0
   63    65   -67    68  -0.50800  1.0 3.0
   63    65    67    70   0.09850  1.0 1.0
   63    65    67    70   0.15250 -1.0 2.0
   63    65    67    70  -0.50650  1.0 3.0
   63    65    46    43   0.56750  1.0 1.0
   63    65    46    43  -0.07550 -1.0 2.0
   63    65    46    43   0.20000  1.0 3.0
   63    65    46    47   0.15000  1.0 3.0
   63    65    46    54   0.86500  1.0 1.0
   63    65    46    54  -0.17500 -1.0 2.0
   63    65    46    54   0.20800  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    46   0.15000  1.0 3.0
   64    63    73    68   0.08050  1.0 3.0
   65    63   -73    68  -0.25900  1.0 1.0
   65    63   -73    68  -0.47000 -1.0 2.0
   65    63   -73    68   0.11750  1.0 3.0
   65    67    68    69  -0.64400  1.0 1.0
   65    67    68    69   0.26850 -1.0 2.0
   65    67   -68    73  -0.15000  1.0 1.0
   65    67   -68    73   0.89550 -1.0 2.0
   65    67   -68    73  -0.06900  1.0 3.0
   65    67    70    71   7.00000 -1.0 2.0
   65    67    70    72   7.00000 -1.0 2.0
   65    46    54    55  -0.11600  1.0 1.0
   65    46    54    55  -0.09450 -1.0 2.0
   65    46    54    55   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    70   0.00000  1.0 1.0
   66    65    46    43   0.15000  1.0 3.0
   66    65    46    47   0.15000  1.0 3.0
   66    65    46    54   0.23400  1.0 3.0
   67    65    46    43   0.34400  1.0 1.0
   67    65    46    43   0.09450 -1.0 2.0
   67    65    46    43   0.11100  1.0 3.0
   67    65    46    47   0.15000  1.0 3.0
   67    65    46    54   1.05650  1.0 1.0
   67    65    46    54   0.15600 -1.0 2.0
   67    65    46    54   0.53150  1.0 3.0
   67    68   -73    63   2.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   69    68    73    63   3.00000 -1.0 2.0
   73    63    65    66   0.23400  1.0 3.0
   73    63   -65    67   0.61850  1.0 1.0
   73    63   -65    67  -0.22750 -1.0 2.0
   73    63   -65    67   0.15300  1.0 3.0
   73    63    65    46   0.62750  1.0 1.0
   73    63    65    46  -0.30950 -1.0 2.0
   73    63    65    46   0.27300  1.0 3.0
   70    67    68    69   1.00000 -1.0 2.0
   70    67    68    73  -0.56150  1.0 1.0
   70    67    68    73   2.19150 -1.0 2.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    65    67    68   0.09700  1.0 1.0
   46    65    67    68   0.15600 -1.0 2.0
   46    65    67    68  -0.50800  1.0 3.0
   46    65    67    70   0.09850  1.0 1.0
   46    65    67    70   0.15250 -1.0 2.0
   46    65    67    70  -0.50650  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   59    52    56    57   0.15000  1.0 3.0
   59    52    56    58   0.15000  1.0 3.0
   59    52    56    63   0.56750  1.0 1.0
   59    52    56    63  -0.07550 -1.0 2.0
   59    52    56    63   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    65   0.56750  1.0 1.0
   48    43    46    65  -0.07550 -1.0 2.0
   48    43    46    65   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   65    68    67    70   1.10000 -1.0 2.0
   67    73    68    69  10.50000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
END
