* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    164    242     470
    1     0 S   NP   _N1_     1    28.65739    95.74765   -21.54726
    2     1 S   H    _HN1     2     1.02776    92.50921   -84.51085
    3     1 S   H    _H1_     3     1.02952    79.30982    23.71860
    4     1 S   H    _H2_     4     1.02826    38.55550   159.45910
    5     1 S   CT   _CA1     5     1.50137   147.42764   134.98112
    6     5 S   HC   _HA1     6     1.09575   105.18456    75.17038
    7     5 S   CO3  _C1_     7     1.53778   112.35809   -44.95863
    8     7 S   O2Z  _O11     8     1.26363   114.97307   -43.06224
    9     7 S   O2Z  _O12     9     1.26228   114.92000   135.80825
   10     5 S   CT   _CB1    10     1.53046   107.37889  -166.94826
   11    10 S   HC   HB11    11     1.09833   109.32722   -50.25360
   12    10 S   HC   HB12    12     1.09785   110.42725    66.23083
   13    10 S   CT   _CG1    13     1.52996   112.67461  -171.22663
   14    13 S   HC   HG11    14     1.09577   110.60861   -65.28343
   15    13 S   HC   HG12    15     1.09663   109.84186    53.95917
   16    13 S   C    _CD1    16     1.51806   112.19159   174.38392
   17    16 S   O    _OE1    17     1.22740   123.24586     5.61259
   18    16 S   N    _N2_    18     1.38632   111.69984  -174.66785
   19    18 S   H    _HN2    19     1.01602   118.96212     0.92598
   20    18 S   CT1  _CA2    20     1.46291   123.38282   178.85346
   21    20 S   HC   _HA2    21     1.09740   109.33017    -7.63764
   22    20 S   C    _C2_    22     1.53388   108.50465  -123.11774
   23    22 S   O    _O2_    23     1.23031   122.36141  -148.47806
   24    20 S   CT   _CB2    32     1.53301   111.41065   114.40290
   25    24 S   HC   HB21    33     1.09443   109.77764    57.40891
   26    24 S   HC   HB22    34     1.09520   110.66872   175.65251
   27    22 S   N    _N3_    24     1.38361   113.48867    39.07236
   28    27 S   H    _HN3    25     1.01636   119.48892    -3.70317
   29    24 S   S    _SG2    35     1.82874   111.00989   -65.46123
   30    27 S   CT   _CA3    26     1.45282   123.15383   176.93535
   31    30 S   HC   HA31    27     1.09551   107.54452   -63.40898
   32    30 S   HC   HA32    28     1.09557   107.92908    52.99951
   33    29 S   CT   _C17    36     1.88253   100.60748   145.27663
   34    30 S   CO3  _C3_    29     1.52939   114.12255   174.96845
   35    34 S   O2Z  _O31    30     1.26369   116.06087    -0.73142
   36    34 S   O2Z  _O32    31     1.26430   114.41061   179.32334
   37    33 S   CT   _C13    37     1.53186   107.02882   -76.35994
   38    37 S   HC   _H32    38     1.09646   111.24763   167.24832
   39    37 S   HC   _H33    39     1.09513   112.01202    49.35277
   40    33 S   OS   _O23    69     1.43339   109.15477    47.54937
   41    37 S   CO4  _C12    40     1.52930   110.72516   -72.22062
   42    41 S   O    _O22    41     1.23112   120.19169   164.24474
   43    41 S   CM   _C11    42     1.51212   119.54616   -16.58625
   44    43 S   CM   _C10    43     1.34835   119.00200   -11.75411
   45    44 S   HC   _H31    44     1.08580   120.10428  -177.20789
   46    43 S   CT   _C23    79     1.50458   117.96963   170.36710
   47    46 S   HC   _H51    80     1.09766   110.01952   164.23547
   48    46 S   HC   _H52    81     1.09698   109.63550    48.13794
   49    33 S   CT   _C16    45     1.55371   115.88653   163.09647
   50    46 S   CT   _C24    82     1.53082   111.75486   -74.34708
   51    50 S   HC   _H53    83     1.09575   110.29562    60.42051
   52    50 S   HC   _H54    84     1.09681   110.08848   -57.40747
   53    49 S   CT   _C15    46     1.53842   102.13770   -77.14724
   54    53 S   HC   _H35    47     1.09632   110.91218  -143.77437
   55    49 S   OS   _O26    74     1.46152   106.75763   171.74693
   56    50 S   CT   _C19    85     1.52051   111.44468  -178.54747
   57    56 S   HC   _H39    86     1.09463   110.98175    61.16534
   58    56 S   HC   _H40    87     1.09454   111.01810   -59.33174
   59    56 S   HC   _H41    88     1.09454   110.24205  -179.10869
   60    53 S   CT   _C14    48     1.55640   102.38242   -28.00009
   61    60 S   HC   _H34    49     1.09767   110.94262   121.35209
   62    53 S   CT   _C18    70     1.52711   117.17107    95.81802
   63    62 S   HC   _H36    71     1.09025   113.62249   -59.69990
   64    62 S   HC   _H37    72     1.09586   109.96131  -179.66023
   65    62 S   HC   _H38    73     1.09465   110.68197    62.00123
   66    55 S   CT   _C22    75     1.42362   116.72851  -171.91310
   67    66 S   HC   _H48    76     1.09365   107.82022  -165.82367
   68    66 S   HC   _H49    77     1.09374   110.35003    76.76081
   69    66 S   HC   _H50    78     1.09242   112.52619   -46.33969
   70    60 S   CA   _C7_    50     1.51317   113.04636  -116.57676
   71    70 S   CA   _C4_    51     1.39936   119.37221   -90.84245
   72    71 S   HA   _H28    52     1.08776   120.27486    -1.15792
   73    71 S   CA   _C5_    53     1.39652   120.80596   178.76854
   74    73 S   HA   _H29    54     1.08549   117.65034   179.80218
   75    73 S   CA   _C8_    55     1.39797   120.37735    -0.38664
   76    75 S   CA   _C9_    56     1.40712   119.47054    -0.10279
   77    75 S   OS   _O24    64     1.37337   124.59447  -179.89165
   78    70 S   CA   _C6_    57     1.40302   121.90651    87.21954
   79    78 S   HA   _H30    58     1.08566   118.34144     1.34319
   80    76 S   OS   _O25    59     1.37401   115.86015  -179.62413
   81    77 S   CT   _C20    65     1.42219   117.30684    -0.49059
   82    81 S   HC   _H42    66     1.09430   107.73821  -179.70859
   83    81 S   HC   _H43    67     1.09494   111.13427    62.58752
   84    81 S   HC   _H44    68     1.09496   111.15706   -61.99077
   85    80 S   CT   _C21    60     1.42236   117.35056   178.22502
   86    85 S   HC   _H45    61     1.09429   107.72710  -178.93909
   87    85 S   HC   _H46    62     1.09492   111.11486    63.39115
   88    85 S   HC   _H47    63     1.09510   111.18999   -61.22450
  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  11   5   4   3
  18   2   1   1  12   6   5  12   9   3  12  12   4  10   5   4
  14   6   5   4  12   8   6   3   2   1   1  12   4   4   2   1
   1   3   2   1   1   9   8   4   7   3  10   9   6   3   1   4
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    44    49    53    60    40    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    43    44    45    49    53    54    60    61    70    40    62    55    66  
   35    36  
   36  
    0  
   38    39    41    42    43    44    49    53    60    40    55    46  
   39    41    42    43    49    40  
   41    42    43    49    40  
   62    55    41    44    49    53    54    60    61    70    71    78  
   42    43    44    45    49    46    47    48    50  
   43    44    46  
   44    45    49    53    55    46    47    48    50    51    52    56  
   45    49    53    54    60    62    55    66    46    47    48    50  
   49    53    55    46  
   47    48    50    51    52    56    57    58    59    49  
   48    50    51    52    56  
   50    51    52    56  
   53    54    60    61    70    62    63    64    65    55    66    67    68    69  
   51    52    56    57    58    59  
   52    56    57    58    59  
   56    57    58    59  
   54    60    61    70    71    78    62    63    64    65    55    66  
   60    61    70    62    63    64    65    55  
   66    67    68    69    60    62  
   57    58    59  
   58    59  
   59  
    0  
   61    70    71    72    73    76    78    79    62    63    64    65  
   70    71    78    62  
   63    64    65    70  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    78    79    80  
   72    73    74    75    76    78    79    77  
   73    74    75    78  
   74    75    76    78    80    77    81  
   75    76    77  
   76    78    79    80    85    77    81    82    83    84  
   78    79    80    85    86    87    88    77    81  
   81    82    83    84    78    80  
   79    80    85  
   80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   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   268.000  1.529
   33    49   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   549.000  1.340
   43    46   317.000  1.510
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    62   268.000  1.529
   60    61   340.000  1.090
   60    70   317.000  1.510
   60    40   320.000  1.410
   70    71   469.000  1.400
   70    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    49    44    70.00000  112.02700
   33    49    53    58.35000  112.70000
   33    49    55    50.00000  109.50000
   33    40    60    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    43    65.00000  118.62400
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    43    44    65.00000  118.96000
   41    43    46    65.00000  116.34900
   43    41    42    80.00000  123.72100
   43    44    45    35.00000  120.00000
   43    44    49    70.00000  124.00000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    50    70.00000  112.02700
   44    49    53    70.00000  112.02700
   44    49    55    85.00000  110.90400
   49    33    37    58.35000  112.70000
   49    44    45    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    60    58.35000  112.70000
   49    53    62    58.35000  112.70000
   49    55    66    60.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    70    70.00000  112.17500
   53    60    40    50.00000  109.50000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   60    53    54    37.50000  110.70000
   60    70    71    70.00000  120.00000
   60    70    78    70.00000  120.00000
   70    60    61    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    78    76    63.00000  120.00000
   70    78    79    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    79    35.00000  120.00000
   76    80    85    75.00000  111.00000
   78    70    71    63.00000  120.00000
   80    76    78    70.00000  120.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    49    50.00000  109.50000
   40    60    61    35.00000  109.50000
   40    60    70    85.00000  111.85700
   62    53    54    37.50000  110.70000
   62    53    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    49    53    50.00000  109.50000
   55    66    67    35.00000  109.50000
   55    66    68    35.00000  109.50000
   55    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   46    43    44    70.00000  124.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    40    60   0.14700  1.0 1.0
   29    33    40    60  -1.16150 -1.0 2.0
   29    33    40    60   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    43   0.65300  1.0 1.0
   33    37    41    43  -0.03850 -1.0 2.0
   33    37    41    43   0.33900  1.0 3.0
   33    49    53    54   0.15000  1.0 3.0
   33    49   -53    60   0.56750  1.0 1.0
   33    49   -53    60  -0.07550 -1.0 2.0
   33    49   -53    60   0.20000  1.0 3.0
   33    49    53    62   0.56750  1.0 1.0
   33    49    53    62  -0.07550 -1.0 2.0
   33    49    53    62   0.20000  1.0 3.0
   33    49    55    66   0.06250  1.0 1.0
   33    49    55    66  -0.01100 -1.0 2.0
   33    49    55    66   0.28050  1.0 3.0
   37    33    49    44   0.34400  1.0 1.0
   37    33    49    44   0.09450 -1.0 2.0
   37    33    49    44   0.11100  1.0 3.0
   37    33    49    53   0.56750  1.0 1.0
   37    33    49    53  -0.07550 -1.0 2.0
   37    33    49    53   0.20000  1.0 3.0
   37    33    49    55   0.62750  1.0 1.0
   37    33    49    55  -0.30950 -1.0 2.0
   37    33    49    55   0.27300  1.0 3.0
   37    33    40    60   0.06250  1.0 1.0
   37    33    40    60  -0.01100 -1.0 2.0
   37    33    40    60   0.28050  1.0 3.0
   37    41   -43    44  -0.33500  1.0 1.0
   37    41   -43    44   1.06600 -1.0 2.0
   37    41   -43    44  -0.14000  1.0 3.0
   37    41    43    46   0.25700  1.0 1.0
   37    41    43    46   0.66200 -1.0 2.0
   37    41    43    46   0.04450  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   41    43    44    45   7.00000 -1.0 2.0
   41    43    44    49   7.00000 -1.0 2.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    50   0.09700  1.0 1.0
   41    43    46    50   0.15600 -1.0 2.0
   41    43    46    50  -0.50800  1.0 3.0
   42    41    43    44   1.00000 -1.0 2.0
   42    41    43    46  -0.64400  1.0 1.0
   42    41    43    46   0.26850 -1.0 2.0
   43    44   -49    33   0.09850  1.0 1.0
   43    44   -49    33   0.15250 -1.0 2.0
   43    44   -49    33  -0.50650  1.0 3.0
   43    44    49    53   0.09850  1.0 1.0
   43    44    49    53   0.15250 -1.0 2.0
   43    44    49    53  -0.50650  1.0 3.0
   43    44    49    55   0.39000  1.0 1.0
   43    44    49    55  -0.05800 -1.0 2.0
   43    44    49    55  -0.55150  1.0 3.0
   43    46    50    51   0.15000  1.0 3.0
   43    46    50    52   0.15000  1.0 3.0
   43    46    50    56   0.34400  1.0 1.0
   43    46    50    56   0.09450 -1.0 2.0
   43    46    50    56   0.11100  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    50   0.09850  1.0 1.0
   44    43    46    50   0.15250 -1.0 2.0
   44    43    46    50  -0.50650  1.0 3.0
   44    49    53    54   0.15000  1.0 3.0
   44    49    53    60   0.34400  1.0 1.0
   44    49    53    60   0.09450 -1.0 2.0
   44    49    53    60   0.11100  1.0 3.0
   44    49    53    62   0.34400  1.0 1.0
   44    49    53    62   0.09450 -1.0 2.0
   44    49    53    62   0.11100  1.0 3.0
   44    49    55    66  -0.77900  1.0 1.0
   44    49    55    66  -0.36900 -1.0 2.0
   44    49    55    66   0.40400  1.0 3.0
   45    44    49    33   0.00000  1.0 1.0
   45    44    49    53   0.00000  1.0 1.0
   45    44    49    55   0.00000  1.0 1.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    41  -0.95700  1.0 1.0
   49    33   -37    41  -0.18200 -1.0 2.0
   49    33   -37    41   0.29450  1.0 3.0
   49    33   -40    60   0.06250  1.0 1.0
   49    33   -40    60  -0.01100 -1.0 2.0
   49    33   -40    60   0.28050  1.0 3.0
   49    53    60    61   0.15000  1.0 3.0
   49    53    60    70  -0.03700  1.0 1.0
   49    53    60    70   0.37200 -1.0 2.0
   49    53    60    70  -0.47300  1.0 3.0
   49    53   -60    40   0.62750  1.0 1.0
   49    53   -60    40  -0.30950 -1.0 2.0
   49    53   -60    40   0.27300  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53    62    64   0.15000  1.0 3.0
   49    53    62    65   0.15000  1.0 3.0
   49    55    66    67   0.37050  1.0 3.0
   49    55    66    68   0.37050  1.0 3.0
   49    55    66    69   0.37050  1.0 3.0
   53    49    55    66   0.06250  1.0 1.0
   53    49    55    66  -0.01100 -1.0 2.0
   53    49    55    66   0.28050  1.0 3.0
   53    60    70    71   0.04150 -1.0 2.0
   53    60    70    78   0.04150 -1.0 2.0
   53    60   -40    33   0.06250  1.0 1.0
   53    60   -40    33  -0.01100 -1.0 2.0
   53    60   -40    33   0.28050  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    70   0.43200  1.0 3.0
   54    53    60    40   0.23400  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   60    53    62    63   0.15000  1.0 3.0
   60    53    62    64   0.15000  1.0 3.0
   60    53    62    65   0.15000  1.0 3.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    78    76   3.62500 -1.0 2.0
   60    70    78    79   3.62500 -1.0 2.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    78   0.00000  1.0 1.0
   61    60    40    33   0.37050  1.0 3.0
   70    60    40    33   0.37500  1.0 3.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    78    76   3.62500 -1.0 2.0
   71    70    78    79   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    70   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76    80    85   1.63200 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    80    85    86   0.08050  1.0 3.0
   76    80    85    87   0.08050  1.0 3.0
   76    80    85    88   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    73   3.62500 -1.0 2.0
   78    76    80    85   1.63200 -1.0 2.0
   80    76    78    70   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    49    44   0.61850  1.0 1.0
   40    33    49    44  -0.22750 -1.0 2.0
   40    33    49    44   0.15300  1.0 3.0
   40    33   -49    53   0.62750  1.0 1.0
   40    33   -49    53  -0.30950 -1.0 2.0
   40    33   -49    53   0.27300  1.0 3.0
   40    33    49    55   1.11900  1.0 1.0
   40    33    49    55  -1.16350 -1.0 2.0
   40    33    49    55  -0.34150  1.0 3.0
   40    60    70    71   0.64500  1.0 1.0
   40    60    70    71   0.14800 -1.0 2.0
   40    60    70    71   0.20650  1.0 3.0
   40    60    70    78   0.64500  1.0 1.0
   40    60    70    78   0.14800 -1.0 2.0
   40    60    70    78   0.20650  1.0 3.0
   62    53    60    61   0.15000  1.0 3.0
   62    53    60    70  -0.03700  1.0 1.0
   62    53    60    70   0.37200 -1.0 2.0
   62    53    60    70  -0.47300  1.0 3.0
   62    53    60    40   0.62750  1.0 1.0
   62    53    60    40  -0.30950 -1.0 2.0
   62    53    60    40   0.27300  1.0 3.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    60   0.62750  1.0 1.0
   55    49    53    60  -0.30950 -1.0 2.0
   55    49    53    60   0.27300  1.0 3.0
   55    49    53    62   0.62750  1.0 1.0
   55    49    53    62  -0.30950 -1.0 2.0
   55    49    53    62   0.27300  1.0 3.0
   46    43    44    45   7.00000 -1.0 2.0
   46    43    44    49   7.00000 -1.0 2.0
   46    50    56    57   0.15000  1.0 3.0
   46    50    56    58   0.15000  1.0 3.0
   46    50    56    59   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    56   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    56   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   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
   37    43    41    42  10.50000 -1.0 2.0
   41    46    43    44   1.10000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   71    78    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   76    79    78    70   1.10000 -1.0 2.0
END
