* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    148    234     423
    1     0 S   NP   _N1_     1    28.68483    95.20236   -20.64513
    2     1 S   H    _HN1     2     1.02837    33.86216   161.88231
    3     1 S   H    _H1_     3     1.02777    85.66090   -66.34124
    4     1 S   H    _H2_     4     1.02965    91.04286    41.97521
    5     1 S   CT   _CA1     5     1.50131   144.37981   170.54028
    6     5 S   HC   _HA1     6     1.09574   105.23684    54.03529
    7     5 S   CO3  _C1_     7     1.53795   112.35530   -66.16163
    8     7 S   O2Z  _O11     8     1.26348   114.99510   -43.52697
    9     7 S   O2Z  _O12     9     1.26236   114.92147   135.58426
   10     5 S   CT   _CB1    10     1.53081   107.41236   171.94034
   11    10 S   HC   HB11    11     1.09816   109.31049   -50.54601
   12    10 S   HC   HB12    12     1.09826   110.42478    65.99255
   13    10 S   CT   _CG1    13     1.53002   112.69065  -171.71938
   14    13 S   HC   HG11    14     1.09543   110.35921   -61.85402
   15    13 S   HC   HG12    15     1.09636   110.14489    57.20669
   16    13 S   C    _CD1    16     1.51815   112.14948   177.15318
   17    16 S   O    _OE1    17     1.22738   123.12636   -13.94963
   18    16 S   N    _N2_    18     1.38560   111.77064   167.19388
   19    18 S   H    _HN2    19     1.01599   119.05923    -0.44013
   20    18 S   CT1  _CA2    20     1.46228   123.46195   179.92598
   21    20 S   HC   _HA2    21     1.09735   109.36930   -14.12093
   22    20 S   C    _C2_    22     1.53466   108.30165  -129.73137
   23    22 S   O    _O2_    23     1.23018   122.27440  -146.50587
   24    20 S   CT   _CB2    32     1.53398   111.34991   108.14369
   25    24 S   HC   HB21    33     1.09381   109.44433    54.52692
   26    24 S   HC   HB22    34     1.09425   110.20323   172.91222
   27    22 S   N    _N3_    24     1.38518   113.35635    40.93461
   28    27 S   H    _HN3    25     1.01529   118.89639    -0.73568
   29    24 S   S    _SG2    35     1.82901   111.53193   -68.37787
   30    27 S   CT   _CA3    26     1.45459   123.53240   175.19331
   31    30 S   HC   HA31    27     1.09517   109.33085    22.28740
   32    30 S   HC   HA32    28     1.09498   107.08717   139.29954
   33    29 S   CT   _C7_    36     1.88068   101.38166   153.57878
   34    30 S   CO3  _C3_    29     1.52923   113.09801  -101.26645
   35    34 S   O2Z  _O31    30     1.26406   115.40802   -44.28287
   36    34 S   O2Z  _O32    31     1.26357   114.98751   136.66974
   37    33 S   CM   _C8_    37     1.50862   107.94646   157.14371
   38    37 S   CMA  _C9_    38     1.35204   127.96585   106.69211
   39    38 S   OM   _O34    39     1.26224   130.72884   177.30049
   40    37 S   CT   _C10    51     1.53160   104.04923   -78.95315
   41    40 S   HC   _H5_    52     1.10109   105.39442    77.16743
   42    38 S   CD   _C4_    40     1.52009   115.98631    -1.38154
   43    40 S   CO   _C11    53     1.55527   101.94732   -35.89335
   44    40 S   CT   _C16    69     1.53647   122.02055  -164.01327
   45    44 S   HC   _H14    70     1.09676   109.64542   164.59708
   46    44 S   HC   _H15    71     1.09479   112.30267    43.51019
   47    42 S   CT   _C5_    41     1.51362   121.76608    -3.79576
   48    47 S   HC   _H4_    42     1.09947   106.18421   135.92064
   49    42 S   NI   _N4_    49     1.30222   122.19545   176.36956
   50    49 S   H    _H3_    50     1.02890   108.10897     0.10087
   51    43 S   C3T  _C14    54     1.50617   113.98864   -98.57680
   52    51 S   HC   _H7_    55     1.07932   116.33901   -99.73400
   53    43 S   OS   _O35    64     1.44318   106.01468   140.05506
   54    44 S   OS   _O36    72     1.44063   108.95166   -78.27886
   55    33 S   CO4  _C6_    43     1.52309   104.29121   -80.41458
   56    55 S   O    _O33    44     1.23520   122.55604    80.96768
   57    47 S   CT   _C18    45     1.52638   110.04792  -106.94337
   58    57 S   HC   _H18    46     1.09499   111.69208    55.42304
   59    57 S   HC   _H19    47     1.09553   110.83520   -63.84970
   60    57 S   HC   _H20    48     1.09448   111.27539   176.20244
   61    51 S   C3T  _C13    56     1.47349   107.65502   120.89095
   62    61 S   HC   _H6_    57     1.07798   120.66090   133.44589
   63    53 S   CT   _C15    65     1.42193   116.00949  -171.44315
   64    63 S   HC   _H11    66     1.09367   107.85116   179.47066
   65    63 S   HC   _H12    67     1.09294   111.42705    61.17697
   66    63 S   HC   _H13    68     1.09312   111.37974   -62.23864
   67    54 S   CO4  _C17    73     1.36070   115.83592   178.52873
   68    67 S   O    _O37    74     1.22535   125.63475     1.84409
   69    61 S   CT   _C12    58     1.48810   109.24363    -5.69072
   70    69 S   HC   _H8_    59     1.09501   110.18758   124.25088
   71    69 S   HC   _H9_    60     1.09436   108.10044  -118.01011
   72    51 S   NTH  _N6_    62     1.46391   124.08152    56.53368
   73    72 S   H    _H10    63     1.01988   110.97366   -12.04354
   74    67 S   N    _N7_    75     1.36874   110.17218  -178.35813
   75    74 S   H    _H16    76     1.01287   121.08632   179.79252
   76    74 S   H    _H17    77     1.01327   120.80151     0.93879
   77    33 S   NTH0 _N5_    61     1.48506   111.54178    43.00548
  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
  20   2   1   1  18  13   4  17   8  10  20   9   3   2  10   7
   3   1  11   7   8   5   7   2   3   2   1   1   7   6   4   2
   1   1   4   3   5   3   2   2   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    77    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    55    56    40    43    69    77  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    47    48    55    56    57    40    41    43    51    61    69    70    71    77    53    44  
   35    36  
   36  
    0  
   38    39    42    47    55    56    49    40    41    43    51    69    77    53    44    45    46    54  
   39    42    47    48    55    57    49    50    40    41    43    77    44  
   42    47    49    40  
   41    43    51    52    61    69    77    72    53    63    44    45    46    54    67    42    55  
   43    51    77    53    44    45    46    54  
   47    48    55    56    57    58    59    60    49    50  
   51    52    61    62    69    70    71    77    72    73    53    63    64    65    66    44    45    46    54    55  
   45    46    54    67    68    74    51    53    77  
   46    54    67  
   54    67  
   48    55    56    57    58    59    60    49    50    77  
   55    56    57    58    59    60    49  
   50    55    57  
    0  
   52    61    62    69    70    71    77    72    73    53    63  
   61    62    69    77    72    73    53  
   63    64    65    66    61    69    72    77  
   67    68    74    75    76  
   56    57    58    59    60    69    77  
   57    77  
   58    59    60  
   59    60  
   60  
    0  
   62    69    70    71    77    72    73  
   69    70    71    77    72    73  
   64    65    66    77  
   65    66  
   66  
    0  
   68    74    75    76  
   74    75    76  
   70    71    77    72    73  
   71    77    72  
   77    72  
   73    77  
    0  
   75    76  
   76  
    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   0.377500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2800   0.1700  -0.672400   1.8540   1.6400   0.005000000   0.000000000
   50   0.5000   0.0300   0.282700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   76   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   77   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   317.000  1.522
   33    77   310.000  1.447
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    42   320.000  1.464
   42    47   270.000  1.508
   42    49   500.000  1.261
   47    48   340.000  1.090
   47    55   317.000  1.522
   47    57   268.000  1.529
   55    56   570.000  1.229
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   434.000  1.010
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    44   268.000  1.529
   43    51   275.000  1.510
   43    77   310.000  1.447
   43    53   320.000  1.380
   51    52   340.000  1.088
   51    61   260.000  1.509
   51    72   315.000  1.448
   61    62   340.000  1.088
   61    69   275.000  1.510
   61    72   315.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   310.000  1.447
   72    73   500.000  1.015
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    54   320.000  1.410
   54    67   214.000  1.327
   67    68   570.000  1.229
   67    74   435.000  1.380
   74    75   434.000  1.010
   74    76   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    55    75.00000  110.18000
   29    33    77    85.00000  109.00000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    55    47    70.00000  116.00000
   33    55    56    80.00000  120.40000
   33    77    43    80.00000  110.40700
   33    77    69    80.00000  110.40700
   37    38    39    65.00000  137.10300
   37    38    42    60.00000  120.31500
   37    40    41    35.00000  109.50000
   37    40    43    70.00000  112.02700
   37    40    44    70.00000  112.02700
   38    42    47    65.00000  117.24000
   38    42    49    70.00000  121.86000
   42    38    39    65.00000  137.10300
   42    47    48    45.00000  109.49600
   42    47    55    70.00000  109.29000
   42    47    57    70.00000  111.76100
   42    49    50    35.00000  113.00000
   47    55    56    80.00000  120.40000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    60    37.50000  110.70000
   55    33    37    70.00000  109.06800
   55    47    48    35.00000  109.50000
   57    47    48    37.50000  110.70000
   57    47    55    63.00000  111.10000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    42    47    65.00000  122.10100
   40    37    38    70.00000  124.00000
   40    43    51    65.00000  112.71400
   40    43    77    75.00000  113.73300
   40    43    53    90.00000  108.56700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    54    50.00000  109.50000
   43    40    41    45.00000  108.72000
   43    51    52    40.00000  115.04500
   43    51    61    60.00000  120.94000
   43    51    72    80.00000  104.84000
   43    77    69    80.00000  110.40700
   43    53    63    60.00000  109.50000
   51    61    62    37.50000  117.20000
   51    61    69    60.00000  120.94000
   51    61    72    30.00000   60.00000
   51    72    61    10.00000   60.00000
   51    72    73    50.00000  109.23200
   61    51    52    37.50000  117.20000
   61    69    70    45.00000  109.38400
   61    69    71    45.00000  109.38400
   61    69    77    75.00000  113.73300
   61    72    73    50.00000  109.23200
   69    61    62    40.00000  115.04500
   71    69    70    33.00000  107.80000
   77    33    37    75.00000  110.70900
   77    33    55    75.00000  112.82000
   77    43    51    75.00000  113.73300
   77    69    70    50.00000  110.15500
   77    69    71    50.00000  110.15500
   72    51    52    50.00000  110.59500
   72    51    61    30.00000   60.00000
   72    61    62    50.00000  110.59500
   72    61    69    80.00000  111.29100
   53    43    51    90.00000  108.56700
   53    43    77   100.00000  112.06800
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    43    75.00000  109.43000
   44    54    67    83.00000  116.90000
   46    44    45    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    46    35.00000  109.50000
   54    67    68    83.00000  123.40000
   54    67    74   110.00000  108.75700
   67    74    75    50.00000  116.34900
   67    74    76    50.00000  116.34900
   74    67    68    85.00000  125.96000
   76    74    75    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    77   0.01700  1.0 1.0
   24    29    33    77  -0.23550 -1.0 2.0
   24    29    33    77   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    55    47   0.65300  1.0 1.0
   29    33    55    47  -0.03850 -1.0 2.0
   29    33    55    47   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   29    33    77    43   0.23200  1.0 1.0
   29    33    77    43   0.02100 -1.0 2.0
   29    33    77    43   0.24950  1.0 3.0
   29    33    77    69   0.23200  1.0 1.0
   29    33    77    69   0.02100 -1.0 2.0
   29    33    77    69   0.24950  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37   -40    43   0.46850  1.0 1.0
   33    37   -40    43   0.08550 -1.0 2.0
   33    37   -40    43   0.09800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33    55    47   0.65300  1.0 1.0
   37    33    55    47  -0.03850 -1.0 2.0
   37    33    55    47   0.33900  1.0 3.0
   37    33    55    56   0.30150 -1.0 2.0
   37    33   -77    43  -0.60800  1.0 1.0
   37    33   -77    43   1.10050 -1.0 2.0
   37    33   -77    43   0.47000  1.0 3.0
   37    33    77    69  -0.60800  1.0 1.0
   37    33    77    69   1.10050 -1.0 2.0
   37    33    77    69   0.47000  1.0 3.0
   37    38   -42    47   0.69550 -1.0 2.0
   37    38    42    49   1.09650  1.0 1.0
   37    38    42    49   0.48950 -1.0 2.0
   37    38    42    49   0.49400  1.0 3.0
   37    40    43    51   0.34400  1.0 1.0
   37    40    43    51   0.09450 -1.0 2.0
   37    40    43    51   0.11100  1.0 3.0
   37    40   -43    77   0.59950  1.0 1.0
   37    40   -43    77  -0.21400 -1.0 2.0
   37    40   -43    77   0.56200  1.0 3.0
   37    40    43    53   0.61850  1.0 1.0
   37    40    43    53  -0.22750 -1.0 2.0
   37    40    43    53   0.15300  1.0 3.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40    44    54   0.61850  1.0 1.0
   37    40    44    54  -0.22750 -1.0 2.0
   37    40    44    54   0.15300  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    43   0.09850  1.0 1.0
   38    37    40    43   0.15250 -1.0 2.0
   38    37    40    43  -0.50650  1.0 3.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    55  -0.51250  1.0 1.0
   38    42    47    55  -0.88800 -1.0 2.0
   38    42    47    55   0.08850  1.0 3.0
   38    42    47    57   0.09850  1.0 1.0
   38    42    47    57   0.15250 -1.0 2.0
   38    42    47    57  -0.50650  1.0 3.0
   38    42    49    50   6.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    47   -55    33   0.65300  1.0 1.0
   42    47   -55    33  -0.03850 -1.0 2.0
   42    47   -55    33   0.33900  1.0 3.0
   42    47    55    56   0.30150 -1.0 2.0
   42    47    57    58   0.15000  1.0 3.0
   42    47    57    59   0.15000  1.0 3.0
   42    47    57    60   0.15000  1.0 3.0
   47    42    49    50   6.00000 -1.0 2.0
   48    47    55    33   0.00000  1.0 1.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    59   0.15000  1.0 3.0
   48    47    57    60   0.15000  1.0 3.0
   55    33   -37    38  -0.51250  1.0 1.0
   55    33   -37    38  -0.88800 -1.0 2.0
   55    33   -37    38   0.08850  1.0 3.0
   55    33    37    40   0.17250  1.0 1.0
   55    33    37    40  -0.04100 -1.0 2.0
   55    33    37    40  -0.33850  1.0 3.0
   55    33    77    43  -1.76800  1.0 1.0
   55    33    77    43   1.02600 -1.0 2.0
   55    33    77    43   0.19700  1.0 3.0
   55    33    77    69  -1.76800  1.0 1.0
   55    33    77    69   1.02600 -1.0 2.0
   55    33    77    69   0.19700  1.0 3.0
   55    47    57    58  -0.11250  1.0 3.0
   55    47    57    59  -0.11250  1.0 3.0
   55    47    57    60  -0.11250  1.0 3.0
   57    47    55    33   0.60050  1.0 1.0
   57    47    55    33   0.05600 -1.0 2.0
   57    47    55    33   0.26150  1.0 3.0
   57    47    55    56   0.30150 -1.0 2.0
   49    42    47    48   0.00000  1.0 1.0
   49    42    47    55   0.00000  1.0 1.0
   49    42    47    57   0.00000  1.0 1.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    61   0.07850  1.0 1.0
   40    43    51    61  -0.03950 -1.0 2.0
   40    43    51    61   0.67350  1.0 3.0
   40    43    51    72   1.53400  1.0 1.0
   40    43    51    72  -0.09950 -1.0 2.0
   40    43    51    72   0.05700  1.0 3.0
   40    43   -77    33   1.99000  1.0 1.0
   40    43   -77    33   0.18800 -1.0 2.0
   40    43   -77    33   0.81350  1.0 3.0
   40    43    77    69   1.99000  1.0 1.0
   40    43    77    69   0.18800 -1.0 2.0
   40    43    77    69   0.81350  1.0 3.0
   40    43    53    63   0.06250  1.0 1.0
   40    43    53    63  -0.01100 -1.0 2.0
   40    43    53    63   0.28050  1.0 3.0
   40    44    54    67  -0.25900  1.0 1.0
   40    44    54    67  -0.47000 -1.0 2.0
   40    44    54    67   0.11750  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    77   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    54   0.23400  1.0 3.0
   43    40    44    45   0.15000  1.0 3.0
   43    40    44    46   0.15000  1.0 3.0
   43    40    44    54   0.62750  1.0 1.0
   43    40    44    54  -0.30950 -1.0 2.0
   43    40    44    54   0.27300  1.0 3.0
   43    51    61    62   0.15000  1.0 3.0
   43    51   -61    69   3.97050  1.0 1.0
   43    51   -61    72   1.53400  1.0 1.0
   43    51   -61    72  -0.09950 -1.0 2.0
   43    51   -61    72   0.05700  1.0 3.0
   43    51   -72    61  -0.35450  1.0 1.0
   43    51   -72    61   0.44050 -1.0 2.0
   43    51   -72    61   0.77100  1.0 3.0
   43    51    72    73   0.03200  1.0 1.0
   43    51    72    73   0.33800 -1.0 2.0
   43    53    63    64   0.37050  1.0 3.0
   43    53    63    65   0.37050  1.0 3.0
   43    53    63    66   0.37050  1.0 3.0
   51    43    77    33   1.99000  1.0 1.0
   51    43    77    33   0.18800 -1.0 2.0
   51    43    77    33   0.81350  1.0 3.0
   51    43   -77    69   1.99000  1.0 1.0
   51    43   -77    69   0.18800 -1.0 2.0
   51    43   -77    69   0.81350  1.0 3.0
   51    43    53    63   0.06250  1.0 1.0
   51    43    53    63  -0.01100 -1.0 2.0
   51    43    53    63   0.28050  1.0 3.0
   51    61    69    70   0.15000  1.0 3.0
   51    61    69    71   0.15000  1.0 3.0
   51    61   -69    77   1.53400  1.0 1.0
   51    61   -69    77  -0.09950 -1.0 2.0
   51    61   -69    77   0.05700  1.0 3.0
   51    61   -72    73   0.03200  1.0 1.0
   51    61   -72    73   0.33800 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    69   0.15000  1.0 3.0
   52    51   -61    72   0.15000  1.0 3.0
   52    51   -72    61   0.28000  1.0 3.0
   52    51    72    73   0.20000  1.0 3.0
   61    51   -72    73   0.03200  1.0 1.0
   61    51   -72    73   0.33800 -1.0 2.0
   61    69    77    33   1.99000  1.0 1.0
   61    69    77    33   0.18800 -1.0 2.0
   61    69    77    33   0.81350  1.0 3.0
   61    69   -77    43   1.99000  1.0 1.0
   61    69   -77    43   0.18800 -1.0 2.0
   61    69   -77    43   0.81350  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    77   0.15000  1.0 3.0
   62    61   -72    51   0.28000  1.0 3.0
   62    61    72    73   0.20000  1.0 3.0
   69    61   -72    51  -0.35450  1.0 1.0
   69    61   -72    51   0.44050 -1.0 2.0
   69    61   -72    51   0.77100  1.0 3.0
   69    61    72    73   0.03200  1.0 1.0
   69    61    72    73   0.33800 -1.0 2.0
   70    69    77    33   0.28000  1.0 3.0
   70    69    77    43   0.10550  1.0 3.0
   71    69    77    33   0.28000  1.0 3.0
   71    69    77    43   0.10550  1.0 3.0
   77    33    37    38   0.90200  1.0 1.0
   77    33    37    38   0.57900 -1.0 2.0
   77    33    37    38  -0.62100  1.0 3.0
   77    33   -37    40   0.52100  1.0 1.0
   77    33   -37    40  -0.20350 -1.0 2.0
   77    33   -37    40   0.29750  1.0 3.0
   77    33    55    47  -0.05600  1.0 1.0
   77    33    55    47   0.24350 -1.0 2.0
   77    33    55    47   1.01150  1.0 3.0
   77    33    55    56   0.30150 -1.0 2.0
   77    43    51    52   0.15000  1.0 3.0
   77    43   -51    61   1.53400  1.0 1.0
   77    43   -51    61  -0.09950 -1.0 2.0
   77    43   -51    61   0.05700  1.0 3.0
   77    43    51    72   2.32150  1.0 1.0
   77    43    53    63  -1.02450  1.0 1.0
   77    43    53    63  -0.46500 -1.0 2.0
   77    43    53    63   0.47400  1.0 3.0
   72    51   -61    62   0.15000  1.0 3.0
   72    51   -61    69   1.53400  1.0 1.0
   72    51   -61    69  -0.09950 -1.0 2.0
   72    51   -61    69   0.05700  1.0 3.0
   72    61    69    70   0.15000  1.0 3.0
   72    61    69    71   0.15000  1.0 3.0
   72    61   -69    77   2.32150  1.0 1.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    61  -0.26800  1.0 1.0
   53    43    51    61   0.69150 -1.0 2.0
   53    43    51    61  -0.48750  1.0 3.0
   53    43    51    72   2.01850  1.0 1.0
   53    43    51    72  -0.32950 -1.0 2.0
   53    43    51    72  -0.50350  1.0 3.0
   53    43    77    33   1.00600  1.0 1.0
   53    43    77    33  -1.41450 -1.0 2.0
   53    43    77    33   0.25150  1.0 3.0
   53    43    77    69   1.00600  1.0 1.0
   53    43    77    69  -1.41450 -1.0 2.0
   53    43    77    69   0.25150  1.0 3.0
   44    40    43    51   0.47050  1.0 1.0
   44    40    43    51   0.03900 -1.0 2.0
   44    40    43    51   0.20100  1.0 3.0
   44    40    43    77   1.53400  1.0 1.0
   44    40    43    77  -0.09950 -1.0 2.0
   44    40    43    77   0.05700  1.0 3.0
   44    40    43    53   0.62750  1.0 1.0
   44    40    43    53  -0.30950 -1.0 2.0
   44    40    43    53   0.27300  1.0 3.0
   44    54    67    68   3.00000 -1.0 2.0
   44    54    67    74  -0.80800  1.0 1.0
   44    54    67    74   2.06850 -1.0 2.0
   45    44    54    67   0.08050  1.0 3.0
   46    44    54    67   0.08050  1.0 3.0
   54    67    74    75   2.56700 -1.0 2.0
   54    67    74    76   2.56700 -1.0 2.0
   68    67    74    75   2.45000 -1.0 2.0
   68    67    74    76   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    47    42    49  10.50000 -1.0 2.0
   33    47    55    56  10.50000 -1.0 2.0
   54    74    67    68  10.50000 -1.0 2.0
   76    67    74    75   1.00000 -1.0 2.0
END
