* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    223     421
    1     0 S   NP   _N1_     1    28.69335    95.15589   -22.90320
    2     1 S   H    _HN1     2     1.02789    98.54263   -62.31091
    3     1 S   H    _H1_     3     1.02947    78.42225    44.73332
    4     1 S   H    _H2_     4     1.02834    35.33652  -171.19239
    5     1 S   CT   _CA1     5     1.50119   142.10474   153.27701
    6     5 S   HC   _HA1     6     1.09598   105.13603    80.32526
    7     5 S   CO3  _C1_     7     1.53703   112.27811   -39.54397
    8     7 S   O2Z  _O11     8     1.26348   115.12422   -49.24272
    9     7 S   O2Z  _O12     9     1.26228   114.79877   129.58655
   10     5 S   CT   _CB1    10     1.53063   107.37969  -162.19668
   11    10 S   HC   HB11    11     1.09822   108.96032   -53.01222
   12    10 S   HC   HB12    12     1.09808   110.62280    63.42119
   13    10 S   CT   _CG1    13     1.53014   112.70965  -174.21714
   14    13 S   HC   HG11    14     1.09614   110.38775   -68.48678
   15    13 S   HC   HG12    15     1.09677   109.96659    50.66411
   16    13 S   C    _CD1    16     1.51883   112.32323   170.63609
   17    16 S   O    _OE1    17     1.22743   123.27745    -1.74843
   18    16 S   N    _N2_    18     1.38613   111.66771   179.10038
   19    18 S   H    _HN2    19     1.01606   119.00665    -0.71491
   20    18 S   CT1  _CA2    20     1.46255   123.44917   176.12616
   21    20 S   HC   _HA2    21     1.09746   109.34972    -4.38043
   22    20 S   C    _C2_    22     1.53545   108.46300  -119.58158
   23    22 S   O    _O2_    23     1.23047   122.39673  -149.51836
   24    20 S   CT   _CB2    32     1.53357   111.57039   117.84286
   25    24 S   HC   HB21    33     1.09459   109.65066    53.81621
   26    24 S   HC   HB22    34     1.09449   110.06593   172.75467
   27    22 S   N    _N3_    24     1.38385   113.59742    38.19753
   28    27 S   H    _HN3    25     1.01614   119.48593    -3.86123
   29    24 S   S    _SG2    35     1.83067   111.11428   -68.16142
   30    27 S   CT   _CA3    26     1.45273   123.14462   176.94354
   31    30 S   HC   HA31    27     1.09551   107.57198   -62.99634
   32    30 S   HC   HA32    28     1.09559   107.90160    53.41012
   33    29 S   CT   _C21    36     1.86285   101.28846   164.31722
   34    30 S   CO3  _C3_    29     1.52932   114.13259   175.38357
   35    34 S   O2Z  _O31    30     1.26365   116.07206     0.19281
   36    34 S   O2Z  _O32    31     1.26429   114.40702  -179.77186
   37    33 S   CM   _C13    37     1.52346   107.52452   -69.99015
   38    37 S   HC   _H30    38     1.09448   112.65881   -53.10716
   39    33 S   CT   _C17    72     1.53592   109.21627    59.28558
   40    39 S   HC   _H34    73     1.09711   111.41221    53.98000
   41    39 S   HC   _H35    74     1.09660   111.02795   172.39047
   42    39 S   HC   _H36    75     1.09461   112.82595   -66.89843
   43    33 S   CT   _C18    76     1.54145   106.00088   175.33675
   44    43 S   HC   _H37    77     1.09692   111.80100   -61.59711
   45    43 S   HC   _H38    78     1.09740   112.34743    59.68154
   46    43 S   HC   _H39    79     1.09735   110.67595   179.14820
   47    37 S   CMA  _C14    39     1.35565   131.87288   128.10883
   48    47 S   OM   _O20    40     1.26440   127.34455    -2.26019
   49    47 S   OS   _O24    41     1.41252   109.77424  -178.87674
   50    49 S   CT   _C22    42     1.44741   118.93139  -114.03405
   51    50 S   CT   _C16    43     1.55705   105.33651   159.39801
   52    51 S   HC   _H33    44     1.10043   109.20528  -179.78694
   53    50 S   CT   _C19    64     1.53708   110.29489   -83.04121
   54    53 S   HC   _H40    65     1.09460   111.59500    72.80325
   55    53 S   HC   _H41    66     1.09530   111.40001   -46.07030
   56    53 S   HC   _H42    67     1.09540   111.29606  -167.51421
   57    50 S   CT   _C20    68     1.54222   113.09099    40.96879
   58    57 S   HC   _H43    69     1.09534   111.70328   -69.13377
   59    57 S   HC   _H44    70     1.09543   111.56545    50.19500
   60    57 S   HC   _H45    71     1.09557   111.10235   171.24178
   61    51 S   CT   _C15    45     1.54393   114.70723    57.70450
   62    61 S   HC   _H31    46     1.09379   111.26753    97.37239
   63    61 S   HC   _H32    47     1.09423   113.09146   -26.50953
   64    61 S   CA   _C7_    48     1.47820    99.64518  -142.99600
   65    64 S   CA   _C8_    49     1.38301   109.64257    13.74606
   66    65 S   CA   _C5_    50     1.38290   122.07723   176.59861
   67    66 S   HA   _H27    51     1.08444   121.20438  -179.19133
   68    51 S   OS   _O23    63     1.45957   109.57247   -64.13054
   69    66 S   CA   _C4_    52     1.39861   118.12529     0.70025
   70    69 S   HA   _H26    53     1.08777   119.00792  -179.68847
   71    69 S   CA   _C6_    54     1.40605   120.51073    -0.45500
   72    64 S   CA   _C9_    55     1.38102   130.47069  -169.79918
   73    72 S   OS   _O22    56     1.40404   118.91154     3.05723
   74    73 S   CO4  _C12    57     1.39045   121.23855  -179.86438
   75    74 S   O    _O21    58     1.22629   121.99604  -179.79826
   76    74 S   CM   _C11    59     1.47460   116.96798     0.13122
   77    76 S   HC   _H29    60     1.08422   117.12806   179.73239
   78    71 S   CM   _C10    61     1.45363   121.93114  -179.46405
   79    78 S   HC   _H28    62     1.08442   119.00914    -0.36045
  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  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
  13  16  17   8   9   3   2   1   5   2   1   1   9   5   4  10
   8   7   4   2   7   3   7   6   5   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    53    57  
   49    50  
   50    51    52    61    68    53    54    55    56    57    58    59    60  
   51    52    61    62    63    64    65    68    53    54    55    56    57    58    59    60  
   52    61    62    63    64    65    66    72    68    53    54    55    56    57    58    59    60  
   61    62    63    64    65    68    53    57  
   54    55    56    57    58    59    60    61    68  
   55    56    57  
   56    57  
   57  
   58    59    60    61    68  
   59    60  
   60  
    0  
   62    63    64    65    66    71    72    73    68  
   63    64    65    72    68  
   64    65    72    68  
   65    66    67    69    71    72    73    74    78    68  
   66    67    69    70    71    72    73    68  
   67    69    70    71    72    78    68  
   69    70    71    68  
   69    72  
   70    71    72    73    76    78    79  
   71    72    78  
   72    73    74    76    77    78    79  
   73    74    75    76    78    79  
   74    75    76    77    78  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    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   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   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  -0.180000   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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    68   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   469.000  1.400
   64    72   469.000  1.400
   65    66   469.000  1.400
   65    68   450.000  1.364
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    78   320.000  1.460
   72    73   450.000  1.364
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    68    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    70.00000  112.17500
   51    68    65    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    64    65    70.00000  120.00000
   61    64    72    70.00000  120.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    63.00000  120.00000
   64    65    68    70.00000  120.00000
   64    72    71    63.00000  120.00000
   64    72    73    70.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    69    63.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    78    60.00000  120.93500
   71    69    70    35.00000  120.00000
   71    72    73    70.00000  120.00000
   71    78    76    60.00000  123.20500
   71    78    79    40.00000  117.26300
   72    64    65    63.00000  120.00000
   72    73    74    85.00000  115.98000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    40.00000  117.72500
   74    76    78    65.00000  118.96000
   76    74    75    80.00000  123.72100
   76    78    79    35.00000  120.00000
   78    71    72    60.00000  120.93500
   78    76    77    35.00000  120.00000
   68    51    52    35.00000  109.50000
   68    51    61    50.00000  109.50000
   68    65    66    70.00000  120.00000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51  -0.46850  1.0 1.0
   47    49    50    51   0.09300 -1.0 2.0
   47    49    50    51  -0.12850  1.0 3.0
   47    49    50    53  -0.46850  1.0 1.0
   47    49    50    53   0.09300 -1.0 2.0
   47    49    50    53  -0.12850  1.0 3.0
   47    49    50    57  -0.46850  1.0 1.0
   47    49    50    57   0.09300 -1.0 2.0
   47    49    50    57  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    68   1.11900  1.0 1.0
   49    50    51    68  -1.16350 -1.0 2.0
   49    50    51    68  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63   0.15000  1.0 3.0
   50    51    61    64  -0.03700  1.0 1.0
   50    51    61    64   0.37200 -1.0 2.0
   50    51    61    64  -0.47300  1.0 3.0
   50    51    68    65  -0.32850  1.0 1.0
   50    51    68    65  -0.35800 -1.0 2.0
   50    51    68    65   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61   -64    65   0.04150 -1.0 2.0
   51    61    64    72   0.04150 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    64   0.43200  1.0 3.0
   52    51    68    65   0.08050  1.0 3.0
   61    51   -68    65  -0.32850  1.0 1.0
   61    51   -68    65  -0.35800 -1.0 2.0
   61    51   -68    65   0.33950  1.0 3.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64   -65    68   3.62500 -1.0 2.0
   61    64    72    71   3.62500 -1.0 2.0
   61    64    72    73   3.62500 -1.0 2.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    72   0.00000  1.0 1.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    72   0.00000  1.0 1.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    69   3.62500 -1.0 2.0
   64    65   -68    51   1.63200 -1.0 2.0
   64    72    73    74   0.01300  1.0 1.0
   64    72    73    74   0.97950 -1.0 2.0
   64    72    73    74  -0.55700  1.0 3.0
   65    64    72    71   3.62500 -1.0 2.0
   65    64    72    73   3.62500 -1.0 2.0
   65    66    69    70   3.62500 -1.0 2.0
   65    66   -69    71   3.62500 -1.0 2.0
   66    65    68    51   1.63200 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    78   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    71   3.62500 -1.0 2.0
   69    71   -72    64   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    78    76   0.15800  1.0 1.0
   69    71    78    76   1.85350 -1.0 2.0
   69    71    78    76  -0.48700  1.0 3.0
   69    71    78    79   0.56550  1.0 3.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    78   3.62500 -1.0 2.0
   71    72    73    74   0.01300  1.0 1.0
   71    72    73    74   0.97950 -1.0 2.0
   71    72    73    74  -0.55700  1.0 3.0
   72    64   -65    66   3.62500 -1.0 2.0
   72    64    65    68   3.62500 -1.0 2.0
   72    71    78    76   0.15800  1.0 1.0
   72    71    78    76   1.85350 -1.0 2.0
   72    71    78    76  -0.48700  1.0 3.0
   72    71    78    79   0.56550  1.0 3.0
   72    73    74    75   3.00000 -1.0 2.0
   72    73   -74    76   2.00000 -1.0 2.0
   73    74    76    77   1.63100 -1.0 2.0
   73    74    76    78  -0.56150  1.0 1.0
   73    74    76    78   2.19150 -1.0 2.0
   74    76   -78    71   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   1.00000 -1.0 2.0
   77    76    78    71   7.00000 -1.0 2.0
   77    76    78    79   7.00000 -1.0 2.0
   78    71    72    64   3.62500 -1.0 2.0
   78    71   -72    73   3.62500 -1.0 2.0
   68    51    61    62   0.23400  1.0 3.0
   68    51    61    63   0.23400  1.0 3.0
   68    51   -61    64  -0.64350  1.0 1.0
   68    51   -61    64  -0.04200 -1.0 2.0
   68    51   -61    64   0.19800  1.0 3.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    69   3.62500 -1.0 2.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    68   0.62750  1.0 1.0
   53    50    51    68  -0.30950 -1.0 2.0
   53    50    51    68   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    68   0.62750  1.0 1.0
   57    50    51    68  -0.30950 -1.0 2.0
   57    50    51    68   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   65    72    64    61   4.00000 -1.0 2.0
   66    68    65    64   4.00000 -1.0 2.0
   69    67    66    65   1.10000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    78    71    69   4.00000 -1.0 2.0
   71    73    72    64   4.00000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    77    76    78   1.10000 -1.0 2.0
   71    79    78    76   1.10000 -1.0 2.0
END
