* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    242     441
    1     0 S   NP   _N1_     1    28.99515    95.86101   -19.91820
    2     1 S   H    _HN1     2     1.02786    79.91779   -69.00947
    3     1 S   H    _H1_     3     1.02960    91.66110    39.29831
    4     1 S   H    _H2_     4     1.02844    38.68725   154.92916
    5     1 S   CT   _CA1     5     1.50090   148.27141   174.67229
    6     5 S   HC   _HA1     6     1.09571   105.27389    46.04882
    7     5 S   CO3  _C1_     7     1.53810   112.40660   -74.23389
    8     7 S   O2Z  _O11     8     1.26355   115.03903   -44.12770
    9     7 S   O2Z  _O12     9     1.26260   114.94276   135.36681
   10     5 S   CT   _CB1    10     1.53120   107.46066   164.00295
   11    10 S   HC   HB11    11     1.09812   109.42761   -50.61269
   12    10 S   HC   HB12    12     1.09820   110.38609    65.94475
   13    10 S   CT   _CG1    13     1.52977   112.59921  -171.74795
   14    13 S   HC   HG11    14     1.09454   110.33750   -60.03613
   15    13 S   HC   HG12    15     1.09628   110.16726    58.98275
   16    13 S   C    _CD1    16     1.51748   112.27349   179.13362
   17    16 S   O    _OE1    17     1.22717   123.12787   -15.17115
   18    16 S   N    _N2_    18     1.38540   111.65301   165.94175
   19    18 S   H    _HN2    19     1.01601   119.12777    -0.44102
   20    18 S   CT1  _CA2    20     1.46186   123.58779  -179.48074
   21    20 S   HC   _HA2    21     1.09726   109.44228   -13.39581
   22    20 S   C    _C2_    22     1.53436   108.20734  -129.06971
   23    22 S   O    _O2_    23     1.23011   122.29890  -146.09298
   24    20 S   CT   _CB2    32     1.53286   111.10739   108.88841
   25    24 S   HC   HB21    33     1.09562   109.70085    53.35484
   26    24 S   HC   HB22    34     1.09502   110.84217   171.77581
   27    22 S   N    _N3_    24     1.38532   113.34923    41.36283
   28    27 S   H    _HN3    25     1.01523   118.89744    -0.62495
   29    24 S   S    _SG2    35     1.82925   111.71220   -69.23159
   30    27 S   CT   _CA3    26     1.45451   123.47288   175.11096
   31    30 S   HC   HA31    27     1.09521   109.26035    23.87173
   32    30 S   HC   HA32    28     1.09496   107.11080   140.87863
   33    29 S   CT   _C8_    36     1.85015    99.57443   145.05786
   34    33 S   HC   _H3_    37     1.09870   105.06104    38.06693
   35    30 S   CO3  _C3_    29     1.52926   113.11714   -99.62543
   36    35 S   O2Z  _O31    30     1.26404   115.41305   -44.21589
   37    35 S   O2Z  _O32    31     1.26357   114.98222   136.72877
   38    33 S   CM   _C4_    38     1.51651   110.44834   151.29398
   39    38 S   CMA  _C5_    39     1.35684   124.35145   124.08103
   40    39 S   OM   _O16    40     1.26731   129.37193   176.20935
   41    38 S   CT   _C16    73     1.52106   114.64711   -60.73882
   42    41 S   HC   _H32    74     1.09554   110.28887   -44.96233
   43    41 S   HC   _H33    75     1.09452   113.26045  -164.12259
   44    41 S   HC   _H34    76     1.09433   110.80583    75.38364
   45    39 S   CT   _C9_    41     1.54459   119.81395    -0.86139
   46    45 S   HC   _H28    42     1.09141   104.62070   103.54120
   47    45 S   CT   _C14    43     1.56872   118.24259   -18.79181
   48    45 S   OH   _O19    71     1.44207   110.72769  -143.80188
   49    48 S   HO   _H40    72     0.97415   105.99958   -28.16419
   50    33 S   CT   _C10    44     1.54783   110.42559   -78.18077
   51    50 S   HC   _H29    45     1.09365   107.57050    20.41238
   52    47 S   CT   _C13    54     1.62642   111.42945   158.75553
   53    47 S   CT   _C18    66     1.57273   109.40578   -80.46574
   54    53 S   HC   _H38    67     1.09210   111.47129   -72.41094
   55    53 S   HC   _H39    68     1.09284   111.27231   167.78286
   56    50 S   OS   _O18    46     1.44539   105.78184   132.39415
   57    64 S   C3T  _C15    55     1.48153   107.59940   -63.39355
   58    52 S   CT   _C17    60     1.53203   115.14007    60.06677
   59    58 S   HC   _H35    61     1.09385   111.78969   -66.03780
   60    58 S   HC   _H36    62     1.09632   111.23615   175.30214
   61    58 S   HC   _H37    63     1.09239   112.47346    56.56416
   62    53 S   OH   _O21    69     1.42008   113.39833    47.49092
   63    62 S   HO   _H42    70     0.97163   107.35718  -179.39026
   64    56 S   CT   _C11    47     1.42836   116.63281   178.00286
   65    64 S   HC   _H30    48     1.09419   107.94445   172.86936
   66    57 S   C3T  _C7_    56     1.51503   121.03793  -138.88232
   67    66 S   HC   _H25    57     1.08064   120.63379  -148.63502
   68    66 S   HC   _H26    58     1.08290   118.73481     1.57247
   69    64 S   CT   _C12    49     1.54094   115.44924    47.36764
   70    69 S   HC   _H31    50     1.09770   109.02913   160.15412
   71    57 S   O3T  _O17    59     1.41902   118.93550   -70.16161
   72    69 S   CT   _C6_    51     1.55061   104.97664   -84.10113
   73    72 S   HC   _H23    52     1.08933   112.59340   122.45858
   74    72 S   HC   _H24    53     1.09800   107.78031  -120.56926
   75    69 S   OH   _O20    64     1.41333   113.70207    40.01282
   76    75 S   HO   _H41    65     0.97282   107.04882  -177.88659
  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   9   5   4   3
  16   7   2   1   1  13  13   5   5   2   1   1  15   6  23   4
   1  13   4  22   8   3   2   9  16  10   3   2   1   1   1  12
   6   5   2   1   7   5   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    50    51    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    47    50    51    56    64    52    53    41    42    43    44  
   38    39    47    50    51    56    41  
   36    37  
   37  
    0  
   39    40    45    46    47    50    51    56    48    41    42    43    44  
   40    45    46    47    50    52    53    48    49    41    42    43    44  
   45    46    47    48    41  
   42    43    44    45    50  
   43    44  
   44  
    0  
   46    47    50    51    56    72    52    57    58    53    54    55    62    48    49  
   47    50    52    53    48    49  
   50    51    56    64    69    72    73    74    52    57    66    71    58    59    60    61    53    54    55    62    63    48    49  
   49    50    52    53  
    0  
   51    56    64    65    69    72    52    57    58    53    54    55    62  
   56    64    52    53  
   57    66    67    68    71    58    59    60    61    75    53    54    55    62    56    64    65    69    70    72    73    74  
   54    55    62    63    56    57    58    72  
   55    62    63  
   62    63  
   64    65    69    70    72    57    66    71    75  
   66    67    68    71    58    59    60    61    75    64    65    69    70    72    73    74  
   59    60    61    64    66    69    71    72    73    74  
   60    61    72  
   61    72  
   72  
   63  
    0  
   65    69    70    72    73    74    66    67    68    71    75    76  
   69    70    72    66    71    75  
   67    68    71    69    72  
   68    71  
   71  
   70    72    73    74    71    75    76  
   72    73    74    75    76  
   72  
   73    74    75    76  
   74    75  
   75  
   76  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.145000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    50   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    52   268.000  1.529
   47    53   268.000  1.529
   50    51   340.000  1.090
   50    56   320.000  1.410
   56    64   320.000  1.410
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    57   275.000  1.510
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    52   268.000  1.529
   52    57   275.000  1.510
   52    58   268.000  1.529
   57    66   260.000  1.509
   57    71   335.000  1.432
   66    67   340.000  1.088
   66    68   340.000  1.088
   66    71   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   75    76   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   320.000  1.410
   62    63   553.000  0.945
   48    49   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    45.00000  110.52000
   39    45    47    70.00000  112.02700
   39    45    48    90.00000  110.39200
   45    39    40    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    47    53    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    50.00000  109.50000
   47    52    72    58.35000  112.70000
   47    52    57    70.00000  112.37300
   47    52    58    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    62    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    56    64    60.00000  109.50000
   56    50    51    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    69    50.00000  109.50000
   56    64    57    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    72    58.35000  112.70000
   64    69    75    50.00000  109.50000
   64    57    52    58.35000  112.70000
   64    57    66    60.00000  120.94000
   64    57    71    80.00000  116.47100
   69    64    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    52    58.35000  112.70000
   69    75    76    55.00000  108.50000
   72    69    70    37.50000  110.70000
   72    52    57    70.00000  112.37300
   72    52    58    58.35000  112.70000
   74    72    73    33.00000  107.80000
   52    47    50    58.35000  112.70000
   52    72    73    37.50000  110.70000
   52    72    74    37.50000  110.70000
   52    57    66    60.00000  120.94000
   52    57    71    80.00000  116.47100
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   57    64    65    45.00000  109.38400
   57    64    69    70.00000  112.37300
   57    66    67    37.50000  117.20000
   57    66    68    37.50000  117.20000
   57    66    71    15.00000   60.43100
   57    71    66    15.00000   59.14900
   68    66    67    35.00000  114.30000
   71    57    66    15.00000   60.43100
   71    66    67    50.00000  114.27700
   71    66    68    50.00000  114.27700
   58    52    57    70.00000  112.37300
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   75    69    70    35.00000  109.50000
   75    69    72    50.00000  109.50000
   53    47    50    58.35000  112.70000
   53    47    52    58.35000  112.70000
   53    62    63    55.00000  108.50000
   55    53    54    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    55    35.00000  109.50000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.56750  1.0 1.0
   29    33    50    56  -0.07550 -1.0 2.0
   29    33    50    56   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   33    50    56    64   0.06250  1.0 1.0
   33    50    56    64  -0.01100 -1.0 2.0
   33    50    56    64   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    56   0.23400  1.0 3.0
   38    33    50    47   0.34400  1.0 1.0
   38    33    50    47   0.09450 -1.0 2.0
   38    33    50    47   0.11100  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    56   0.61850  1.0 1.0
   38    33    50    56  -0.22750 -1.0 2.0
   38    33    50    56   0.15300  1.0 3.0
   38    39    45    46   0.00000  1.0 1.0
   38    39   -45    47   0.09850  1.0 1.0
   38    39   -45    47   0.15250 -1.0 2.0
   38    39   -45    47  -0.50650  1.0 3.0
   38    39    45    48   0.67800  1.0 1.0
   38    39    45    48   0.47050 -1.0 2.0
   38    39    45    48  -0.62500  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45    47    50   0.34400  1.0 1.0
   39    45    47    50   0.09450 -1.0 2.0
   39    45    47    50   0.11100  1.0 3.0
   39    45    47    52   0.34400  1.0 1.0
   39    45    47    52   0.09450 -1.0 2.0
   39    45    47    52   0.11100  1.0 3.0
   39    45    47    53   0.34400  1.0 1.0
   39    45    47    53   0.09450 -1.0 2.0
   39    45    47    53   0.11100  1.0 3.0
   39    45    48    49  -0.07800  1.0 1.0
   39    45    48    49  -0.21500 -1.0 2.0
   39    45    48    49  -0.03150  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.09700  1.0 1.0
   40    39    45    47   0.15600 -1.0 2.0
   40    39    45    47  -0.50800  1.0 3.0
   40    39    45    48   0.09700  1.0 1.0
   40    39    45    48   0.15600 -1.0 2.0
   40    39    45    48  -0.50800  1.0 3.0
   45    47   -50    33   0.56750  1.0 1.0
   45    47   -50    33  -0.07550 -1.0 2.0
   45    47   -50    33   0.20000  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    56   0.62750  1.0 1.0
   45    47    50    56  -0.30950 -1.0 2.0
   45    47    50    56   0.27300  1.0 3.0
   45    47    52    72   0.56750  1.0 1.0
   45    47    52    72  -0.07550 -1.0 2.0
   45    47    52    72   0.20000  1.0 3.0
   45    47    52    57   0.47050  1.0 1.0
   45    47    52    57   0.03900 -1.0 2.0
   45    47    52    57   0.20100  1.0 3.0
   45    47    52    58   0.56750  1.0 1.0
   45    47    52    58  -0.07550 -1.0 2.0
   45    47    52    58   0.20000  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    55   0.15000  1.0 3.0
   45    47    53    62   0.86500  1.0 1.0
   45    47    53    62  -0.17500 -1.0 2.0
   45    47    53    62   0.20800  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   46    45    47    53   0.15000  1.0 3.0
   46    45    48    49   0.19450  1.0 3.0
   47    45    48    49  -0.11600  1.0 1.0
   47    45    48    49  -0.09450 -1.0 2.0
   47    45    48    49   0.21250  1.0 3.0
   47    50    56    64   0.06250  1.0 1.0
   47    50    56    64  -0.01100 -1.0 2.0
   47    50    56    64   0.28050  1.0 3.0
   47    52   -57    64   0.56750  1.0 1.0
   47    52   -57    64  -0.07550 -1.0 2.0
   47    52   -57    64   0.20000  1.0 3.0
   47    52    57    66   0.07850  1.0 1.0
   47    52    57    66  -0.03950 -1.0 2.0
   47    52    57    66   0.67350  1.0 3.0
   47    52    57    71   0.02550  1.0 1.0
   47    52    57    71  -0.02600 -1.0 2.0
   47    52    57    71   1.20400  1.0 3.0
   47    52    58    59   0.15000  1.0 3.0
   47    52    58    60   0.15000  1.0 3.0
   47    52    58    61   0.15000  1.0 3.0
   47    53    62    63  -0.11600  1.0 1.0
   47    53    62    63  -0.09450 -1.0 2.0
   47    53    62    63   0.21250  1.0 3.0
   50    33   -38    39   0.09850  1.0 1.0
   50    33   -38    39   0.15250 -1.0 2.0
   50    33   -38    39  -0.50650  1.0 3.0
   50    33    38    41   0.46850  1.0 1.0
   50    33    38    41   0.08550 -1.0 2.0
   50    33    38    41   0.09800  1.0 3.0
   50    47    52    72   0.56750  1.0 1.0
   50    47    52    72  -0.07550 -1.0 2.0
   50    47    52    72   0.20000  1.0 3.0
   50    47    52    57   0.47050  1.0 1.0
   50    47    52    57   0.03900 -1.0 2.0
   50    47    52    57   0.20100  1.0 3.0
   50    47    52    58   0.56750  1.0 1.0
   50    47    52    58  -0.07550 -1.0 2.0
   50    47    52    58   0.20000  1.0 3.0
   50    47    53    54   0.15000  1.0 3.0
   50    47    53    55   0.15000  1.0 3.0
   50    47    53    62   0.86500  1.0 1.0
   50    47    53    62  -0.17500 -1.0 2.0
   50    47    53    62   0.20800  1.0 3.0
   50    56    64    65   0.37050  1.0 3.0
   50    56    64    69   0.06250  1.0 1.0
   50    56    64    69  -0.01100 -1.0 2.0
   50    56    64    69   0.28050  1.0 3.0
   50    56   -64    57   0.06250  1.0 1.0
   50    56   -64    57  -0.01100 -1.0 2.0
   50    56   -64    57   0.28050  1.0 3.0
   51    50    56    64   0.37050  1.0 3.0
   56    64    69    70   0.23400  1.0 3.0
   56    64    69    72   0.62750  1.0 1.0
   56    64    69    72  -0.30950 -1.0 2.0
   56    64    69    72   0.27300  1.0 3.0
   56    64    69    75   3.69350  1.0 1.0
   56    64    69    75  -1.82950 -1.0 2.0
   56    64    57    52   0.62750  1.0 1.0
   56    64    57    52  -0.30950 -1.0 2.0
   56    64    57    52   0.27300  1.0 3.0
   56    64    57    66  -0.26800  1.0 1.0
   56    64    57    66   0.69150 -1.0 2.0
   56    64    57    66  -0.48750  1.0 3.0
   56    64    57    71   1.11900  1.0 1.0
   56    64    57    71  -1.16350 -1.0 2.0
   56    64    57    71  -0.34150  1.0 3.0
   64    69    72    73   0.15000  1.0 3.0
   64    69    72    74   0.15000  1.0 3.0
   64    69   -72    52   0.56750  1.0 1.0
   64    69   -72    52  -0.07550 -1.0 2.0
   64    69   -72    52   0.20000  1.0 3.0
   64    69    75    76  -0.11600  1.0 1.0
   64    69    75    76  -0.09450 -1.0 2.0
   64    69    75    76   0.21250  1.0 3.0
   64    57    66    67   0.15000  1.0 3.0
   64    57    66    68   0.15000  1.0 3.0
   64    57   -66    71   0.02550  1.0 1.0
   64    57   -66    71  -0.02600 -1.0 2.0
   64    57   -66    71   1.20400  1.0 3.0
   64    57   -71    66   0.06250  1.0 1.0
   64    57   -71    66  -0.01100 -1.0 2.0
   64    57   -71    66   0.28050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   65    64    69    75   0.23400  1.0 3.0
   65    64    57    52   0.15000  1.0 3.0
   65    64    57    66   0.15000  1.0 3.0
   65    64    57    71   0.23400  1.0 3.0
   69    64   -57    52   0.56750  1.0 1.0
   69    64   -57    52  -0.07550 -1.0 2.0
   69    64   -57    52   0.20000  1.0 3.0
   69    64    57    66   0.07850  1.0 1.0
   69    64    57    66  -0.03950 -1.0 2.0
   69    64    57    66   0.67350  1.0 3.0
   69    64    57    71   0.02550  1.0 1.0
   69    64    57    71  -0.02600 -1.0 2.0
   69    64    57    71   1.20400  1.0 3.0
   69    72    52    47   0.56750  1.0 1.0
   69    72    52    47  -0.07550 -1.0 2.0
   69    72    52    47   0.20000  1.0 3.0
   69    72   -52    57   0.47050  1.0 1.0
   69    72   -52    57   0.03900 -1.0 2.0
   69    72   -52    57   0.20100  1.0 3.0
   69    72    52    58   0.56750  1.0 1.0
   69    72    52    58  -0.07550 -1.0 2.0
   69    72    52    58   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    52   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   72    69    75    76  -0.11600  1.0 1.0
   72    69    75    76  -0.09450 -1.0 2.0
   72    69    75    76   0.21250  1.0 3.0
   72    52   -57    64   0.56750  1.0 1.0
   72    52   -57    64  -0.07550 -1.0 2.0
   72    52   -57    64   0.20000  1.0 3.0
   72    52    57    66   0.07850  1.0 1.0
   72    52    57    66  -0.03950 -1.0 2.0
   72    52    57    66   0.67350  1.0 3.0
   72    52    57    71   0.02550  1.0 1.0
   72    52    57    71  -0.02600 -1.0 2.0
   72    52    57    71   1.20400  1.0 3.0
   72    52    58    59   0.15000  1.0 3.0
   72    52    58    60   0.15000  1.0 3.0
   72    52    58    61   0.15000  1.0 3.0
   73    72    52    47   0.15000  1.0 3.0
   73    72    52    57   0.15000  1.0 3.0
   73    72    52    58   0.15000  1.0 3.0
   74    72    52    47   0.15000  1.0 3.0
   74    72    52    57   0.15000  1.0 3.0
   74    72    52    58   0.15000  1.0 3.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47   -50    56   0.62750  1.0 1.0
   52    47   -50    56  -0.30950 -1.0 2.0
   52    47   -50    56   0.27300  1.0 3.0
   52    47    53    54   0.15000  1.0 3.0
   52    47    53    55   0.15000  1.0 3.0
   52    47    53    62   0.86500  1.0 1.0
   52    47    53    62  -0.17500 -1.0 2.0
   52    47    53    62   0.20800  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57   -66    71   0.02550  1.0 1.0
   52    57   -66    71  -0.02600 -1.0 2.0
   52    57   -66    71   1.20400  1.0 3.0
   52    57   -71    66   0.06250  1.0 1.0
   52    57   -71    66  -0.01100 -1.0 2.0
   52    57   -71    66   0.28050  1.0 3.0
   57    64    69    70   0.15000  1.0 3.0
   57    64   -69    72   0.47050  1.0 1.0
   57    64   -69    72   0.03900 -1.0 2.0
   57    64   -69    72   0.20100  1.0 3.0
   57    64    69    75   0.86500  1.0 1.0
   57    64    69    75  -0.17500 -1.0 2.0
   57    64    69    75   0.20800  1.0 3.0
   57    52    58    59   0.15000  1.0 3.0
   57    52    58    60   0.15000  1.0 3.0
   57    52    58    61   0.15000  1.0 3.0
   67    66   -71    57   0.36800  1.0 3.0
   68    66   -71    57   0.36800  1.0 3.0
   71    57   -66    67   0.23400  1.0 3.0
   71    57   -66    68   0.23400  1.0 3.0
   58    52    57    64   0.56750  1.0 1.0
   58    52    57    64  -0.07550 -1.0 2.0
   58    52    57    64   0.20000  1.0 3.0
   58    52    57    66   0.07850  1.0 1.0
   58    52    57    66  -0.03950 -1.0 2.0
   58    52    57    66   0.67350  1.0 3.0
   58    52    57    71   0.02550  1.0 1.0
   58    52    57    71  -0.02600 -1.0 2.0
   58    52    57    71   1.20400  1.0 3.0
   75    69    72    73   0.23400  1.0 3.0
   75    69    72    74   0.23400  1.0 3.0
   75    69    72    52   0.86500  1.0 1.0
   75    69    72    52  -0.17500 -1.0 2.0
   75    69    72    52   0.20800  1.0 3.0
   53    47    50    33   0.56750  1.0 1.0
   53    47    50    33  -0.07550 -1.0 2.0
   53    47    50    33   0.20000  1.0 3.0
   53    47    50    51   0.15000  1.0 3.0
   53    47    50    56   0.62750  1.0 1.0
   53    47    50    56  -0.30950 -1.0 2.0
   53    47    50    56   0.27300  1.0 3.0
   53    47    52    72   0.56750  1.0 1.0
   53    47    52    72  -0.07550 -1.0 2.0
   53    47    52    72   0.20000  1.0 3.0
   53    47    52    57   0.47050  1.0 1.0
   53    47    52    57   0.03900 -1.0 2.0
   53    47    52    57   0.20100  1.0 3.0
   53    47    52    58   0.56750  1.0 1.0
   53    47    52    58  -0.07550 -1.0 2.0
   53    47    52    58   0.20000  1.0 3.0
   54    53    62    63   0.19450  1.0 3.0
   55    53    62    63   0.19450  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   48    45    47    53   0.86500  1.0 1.0
   48    45    47    53  -0.17500 -1.0 2.0
   48    45    47    53   0.20800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
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
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
END
