* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    158    264     471
    1     0 S   NP   _N1_     1    29.58376    96.03991   -15.88807
    2     1 S   H    _HN1     2     1.03065   116.41069    66.34719
    3     1 S   H    _H1_     3     1.02828    39.74164   151.45267
    4     1 S   H    _H2_     4     1.02785    68.36346   -33.84627
    5     1 S   CT   _CA1     5     1.50228   130.18858  -135.22027
    6     5 S   HC   _HA1     6     1.09603   105.26121    18.25131
    7     5 S   CO3  _C1_     7     1.53730   112.51422  -101.35713
    8     7 S   O2Z  _O11     8     1.26263   115.12357   -44.55698
    9     7 S   O2Z  _O12     9     1.26243   114.92167   134.92042
   10     5 S   CT   _CB1    10     1.53117   107.12968   135.43110
   11    10 S   HC   HB11    11     1.09795   108.75401   -59.91803
   12    10 S   HC   HB12    12     1.09581   110.03084    55.77795
   13    10 S   CT   _CG1    13     1.52999   113.39667   178.04025
   14    13 S   HC   HG11    14     1.09607   109.84887   -66.40908
   15    13 S   HC   HG12    15     1.09632   110.27158    52.47818
   16    13 S   C    _CD1    16     1.51991   112.55502   172.25777
   17    16 S   O    _OE1    17     1.22732   122.95106   -23.14363
   18    16 S   N    _N2_    18     1.38606   111.87347   158.84876
   19    18 S   H    _HN2    19     1.01590   118.86101    -1.92773
   20    18 S   CT1  _CA2    20     1.46336   123.91332   177.68277
   21    20 S   HC   _HA2    21     1.09759   109.04443   -21.66041
   22    20 S   C    _C2_    22     1.53536   107.58937  -136.70113
   23    22 S   O    _O2_    23     1.22984   122.53675  -144.00495
   24    20 S   CT   _CB2    32     1.53565   111.99443   101.02926
   25    24 S   HC   HB21    33     1.09495   110.53791    50.08396
   26    24 S   HC   HB22    34     1.09520   110.44633   168.18102
   27    22 S   N    _N3_    24     1.38607   113.16484    43.30632
   28    27 S   H    _HN3    25     1.01534   118.91774    -0.35166
   29    24 S   S    _SG2    35     1.82674   111.69660   -74.18683
   30    27 S   CT   _CA3    26     1.45445   123.35967   175.06950
   31    30 S   HC   HA31    27     1.09530   109.09776    26.69094
   32    30 S   HC   HA32    28     1.09490   107.13906   143.69473
   33    29 S   CT   _C18    36     1.83002   101.04160   131.08191
   34    33 S   HC   _H3_    37     1.09590   105.50457    47.52784
   35    30 S   CO3  _C3_    29     1.52950   113.28884   -96.67559
   36    35 S   O2Z  _O31    30     1.26391   115.50902   -41.41895
   37    35 S   O2Z  _O32    31     1.26370   114.90802   139.53844
   38    33 S   CM   _C8_    38     1.51500   111.04410   166.64311
   39    33 S   CT   _C14    70     1.54237   113.12138   -69.98659
   40    39 S   HC   _H35    71     1.09967   107.46497   158.43992
   41    39 S   HC   _H36    72     1.09497   111.82583    43.48121
   42    38 S   CMA  _C9_    39     1.35123   127.08838  -116.33994
   43    42 S   OM   _O21    40     1.26325   127.70051     9.28326
   44    42 S   OS   _O24    41     1.41971   110.29712  -166.60460
   45    44 S   CT   _C20    42     1.43649   108.07421    -7.17116
   46    45 S   HC   _H44    43     1.09789   105.92164  -109.04490
   47    45 S   CT   _C13    44     1.53327   109.87529   134.65682
   48    47 S   HC   _H33    45     1.09748   108.91931    78.19889
   49    47 S   HC   _H34    46     1.09805   110.62893   -36.44917
   50    47 S   CM   _C10    47     1.51483   111.09566  -158.12509
   51    50 S   CT   _C22    48     1.53297   115.14570    63.42778
   52    50 S   CM   _C12    79     1.34401   120.45972  -116.85485
   53    52 S   HC   _H31    80     1.08450   122.03524  -179.21242
   54    52 S   HC   _H32    81     1.08540   121.23006     0.31959
   55    51 S   CO4  _C11    49     1.52850   113.61997  -150.91243
   56    55 S   O    _O22    50     1.22161   126.81806    50.05014
   57    51 S   CT   _C19    65     1.56663   109.39216   -24.87448
   58    57 S   HC   _H43    66     1.10400   104.67210    81.36521
   59    55 S   OS   _O25    51     1.36578   110.75464  -130.78185
   60    57 S   CT   _C15    67     1.54470   117.38189  -163.67171
   61    60 S   HC   _H37    68     1.09233   110.97411    68.72021
   62    60 S   HC   _H38    69     1.09228   110.74208   -49.81572
   63    38 S   CT   _C21    73     1.50540   119.78446    77.57828
   64    59 S   CT   _C17    52     1.43302   111.28072     0.10835
   65    64 S   HC   _H41    53     1.09417   107.30363  -102.26074
   66    63 S   CT   _C23    74     1.54962   114.96707   -69.99614
   67    66 S   HC   _H45    75     1.09263   110.56439  -167.35478
   68    66 S   HC   _H46    76     1.09185   112.94237    72.09388
   69    64 S   C5BC _C7_    54     1.49088   111.36834   138.97115
   70    51 S   CT   _C16    62     1.53881   108.39829    97.65520
   71    70 S   HC   _H39    63     1.09883   110.95533    23.54517
   72    70 S   HC   _H40    64     1.09629   113.69422   -95.14079
   73    66 S   OH   _O26    77     1.42693   111.48121   -50.01785
   74    73 S   HO   _H47    78     0.97209   107.01801   175.64090
   75    69 S   C5BC _C4_    55     1.42466   127.82294   -45.49986
   76    75 S   HA   _H28    56     1.08090   127.40180    -0.20558
   77    75 S   C5A  _C5_    57     1.37457   106.54720   179.88636
   78    77 S   HA   _H29    58     1.08027   133.83550   179.91844
   79    77 S   OA   _O23    59     1.35696   110.49043    -0.12972
   80    69 S   C5A  _C6_    60     1.38075   126.98843   134.11535
   81    80 S   HA   _H30    61     1.08081   133.48491    -0.07402
  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
  15   7   2   1   1  18  10   5   4   8   3   9  15   7  12   5
   4  15  19   5   1   1  12   4  14   6   8   5   2   1   6  11
   6   4   3   2  10   4   1   1   1   1   6   4   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    45    57    60    61    62    39    40    41    63    66  
   38    42    60    39    40    41    63  
   36    37  
   37  
    0  
   42    43    44    45    46    47    51    57    58    60    39    40    41    63    66    67    68    73  
   40    41    63    42    51    57    58    60    61    62  
   41    57    60    61    62  
   57    60    61    62  
   43    44    45    46    47    57    63    66  
   44    45    63  
   45    46    47    48    49    50    57    63    66  
   46    47    48    49    50    51    57    58    60    63    66    67    68    73    52  
   47    48    49    50    57    63    66  
   48    49    50    51    55    70    57    63    66    52    53    54  
   49    50    51    63    52  
   50    51    63    52  
   51    55    56    59    64    70    71    72    57    58    60    63    52    53    54  
   55    56    59    64    65    69    70    71    72    57    58    60    61    62    63    66    52    53    54  
   53    54    55    57    70  
   54  
    0  
   56    59    64    65    69    70    71    72    57    58    60    63  
   59    64    70    57  
   58    60    61    62    63    66    67    68    73    59    64    70    71    72  
   60    61    62    63    66    70  
   64    65    69    75    80    70    71    72  
   61    62    63    66    70  
   62    63  
   63  
   66    67    68    73    74    70  
   65    69    75    76    77    79    80    81    70    71    72  
   69    75    80    70    71    72  
   67    68    73    74  
   68    73    74  
   73    74  
   75    76    77    78    79    80    81    70    71    72  
   71    72    75    80  
   72  
    0  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79    80  
   78    79    80    81  
   79    80  
   80    81  
   81  
    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   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   80   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   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    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    39   268.000  1.529
   38    42   465.000  1.376
   38    63   317.000  1.510
   42    43   745.000  1.250
   42    44   440.000  1.360
   44    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    63   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   317.000  1.510
   50    52   549.000  1.340
   51    55   317.000  1.522
   51    70   268.000  1.529
   51    57   268.000  1.529
   55    56   570.000  1.229
   55    59   214.000  1.327
   59    64   320.000  1.410
   64    65   340.000  1.090
   64    69   285.000  1.502
   64    70   268.000  1.529
   69    75   469.000  1.424
   69    80   546.000  1.367
   75    76   367.000  1.080
   75    77   546.000  1.367
   77    78   367.000  1.080
   77    79   340.000  1.360
   79    80   340.000  1.360
   80    81   367.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   320.000  1.410
   73    74   553.000  0.945
   52    53   340.000  1.080
   52    54   340.000  1.080
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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    63    65.00000  117.92700
   33    39    60    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    80.00000  120.01400
   38    63    45    70.00000  112.02700
   38    63    57    70.00000  112.02700
   38    63    66    70.00000  112.02700
   42    44    45    90.00000  111.18400
   44    42    43    65.00000  121.00000
   44    45    46    35.00000  109.50000
   44    45    47    50.00000  109.50000
   44    45    63    50.00000  109.50000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    50    70.00000  112.02700
   45    63    57    58.35000  112.70000
   45    63    66    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    50    51    65.00000  117.92700
   47    50    52    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    55    70.00000  109.06800
   50    51    70    70.00000  112.02700
   50    51    57    70.00000  112.02700
   50    52    53    35.00000  120.00000
   50    52    54    35.00000  120.00000
   51    55    56    80.00000  120.40000
   51    55    59    81.00000  111.40000
   51    70    64    58.35000  112.70000
   51    70    71    37.50000  110.70000
   51    70    72    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    57    63    58.35000  112.70000
   55    59    64    83.00000  116.90000
   59    55    56    83.00000  123.40000
   59    64    65    35.00000  109.50000
   59    64    69    85.00000  111.85700
   59    64    70    50.00000  109.50000
   64    69    75    60.00000  130.00000
   64    69    80    60.00000  130.00000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   69    64    65    35.00000  109.50000
   69    75    76    35.00000  127.50000
   69    75    77    70.00000  107.30000
   69    80    79    70.00000  110.60000
   69    80    81    35.00000  132.10000
   75    77    78    35.00000  132.10000
   75    77    79    70.00000  110.60000
   77    75    76    35.00000  125.70000
   77    79    80    70.00000  106.50000
   79    77    78    35.00000  113.40000
   79    80    81    35.00000  113.40000
   80    69    75    70.00000  107.30000
   70    51    55    63.00000  111.10000
   70    64    65    37.50000  110.70000
   70    64    69    70.00000  112.17500
   72    70    71    33.00000  107.80000
   57    51    55    63.00000  111.10000
   57    51    70    58.35000  112.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    39    58.35000  112.70000
   57    63    66    58.35000  112.70000
   60    57    58    37.50000  110.70000
   60    39    40    37.50000  110.70000
   60    39    41    37.50000  110.70000
   62    60    61    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    60    61    37.50000  110.70000
   39    60    62    37.50000  110.70000
   41    39    40    33.00000  107.80000
   63    38    42    70.00000  124.00000
   63    45    46    37.50000  110.70000
   63    45    47    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    57    60    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    73    50.00000  109.50000
   66    73    74    55.00000  108.50000
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   52    50    51    70.00000  124.00000
   54    52    53    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    63   0.30250  1.0 1.0
   29    33    38    63  -0.14950 -1.0 2.0
   29    33    38    63   0.36900  1.0 3.0
   29    33    39    60   0.44750  1.0 1.0
   29    33    39    60  -0.17800 -1.0 2.0
   29    33    39    60   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    63    45   0.46850  1.0 1.0
   33    38    63    45   0.08550 -1.0 2.0
   33    38    63    45   0.09800  1.0 3.0
   33    38    63    57   0.46850  1.0 1.0
   33    38    63    57   0.08550 -1.0 2.0
   33    38    63    57   0.09800  1.0 3.0
   33    38    63    66   0.46850  1.0 1.0
   33    38    63    66   0.08550 -1.0 2.0
   33    38    63    66   0.09800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    63   0.34800  1.0 3.0
   34    33    39    60   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    60   0.34400  1.0 1.0
   38    33    39    60   0.09450 -1.0 2.0
   38    33    39    60   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42   -44    45  -2.26850  1.0 1.0
   38    42   -44    45   3.39050 -1.0 2.0
   38    63    66    67   0.15000  1.0 3.0
   38    63    66    68   0.15000  1.0 3.0
   38    63    66    73   1.05650  1.0 1.0
   38    63    66    73   0.15600 -1.0 2.0
   38    63    66    73   0.53150  1.0 3.0
   42    38   -63    45   0.09850  1.0 1.0
   42    38   -63    45   0.15250 -1.0 2.0
   42    38   -63    45  -0.50650  1.0 3.0
   42    38    63    57   0.09850  1.0 1.0
   42    38    63    57   0.15250 -1.0 2.0
   42    38    63    57  -0.50650  1.0 3.0
   42    38    63    66   0.09850  1.0 1.0
   42    38    63    66   0.15250 -1.0 2.0
   42    38    63    66  -0.50650  1.0 3.0
   42    44    45    46   0.08050  1.0 3.0
   42    44    45    47  -0.46850  1.0 1.0
   42    44    45    47   0.09300 -1.0 2.0
   42    44    45    47  -0.12850  1.0 3.0
   42    44   -45    63  -0.46850  1.0 1.0
   42    44   -45    63   0.09300 -1.0 2.0
   42    44   -45    63  -0.12850  1.0 3.0
   43    42    44    45   2.00000 -1.0 2.0
   44    45    47    48   0.23400  1.0 3.0
   44    45    47    49   0.23400  1.0 3.0
   44    45    47    50   0.61850  1.0 1.0
   44    45    47    50  -0.22750 -1.0 2.0
   44    45    47    50   0.15300  1.0 3.0
   44    45   -63    38   0.61850  1.0 1.0
   44    45   -63    38  -0.22750 -1.0 2.0
   44    45   -63    38   0.15300  1.0 3.0
   44    45    63    57   0.62750  1.0 1.0
   44    45    63    57  -0.30950 -1.0 2.0
   44    45    63    57   0.27300  1.0 3.0
   44    45    63    66   0.62750  1.0 1.0
   44    45    63    66  -0.30950 -1.0 2.0
   44    45    63    66   0.27300  1.0 3.0
   45    47    50    51   0.46850  1.0 1.0
   45    47    50    51   0.08550 -1.0 2.0
   45    47    50    51   0.09800  1.0 3.0
   45    47    50    52   0.09850  1.0 1.0
   45    47    50    52   0.15250 -1.0 2.0
   45    47    50    52  -0.50650  1.0 3.0
   45    63    66    67   0.15000  1.0 3.0
   45    63    66    68   0.15000  1.0 3.0
   45    63    66    73   0.86500  1.0 1.0
   45    63    66    73  -0.17500 -1.0 2.0
   45    63    66    73   0.20800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    63    38   0.15000  1.0 3.0
   46    45    63    57   0.15000  1.0 3.0
   46    45    63    66   0.15000  1.0 3.0
   47    45    63    38   0.34400  1.0 1.0
   47    45    63    38   0.09450 -1.0 2.0
   47    45    63    38   0.11100  1.0 3.0
   47    45    63    57   0.56750  1.0 1.0
   47    45    63    57  -0.07550 -1.0 2.0
   47    45    63    57   0.20000  1.0 3.0
   47    45    63    66   0.56750  1.0 1.0
   47    45    63    66  -0.07550 -1.0 2.0
   47    45    63    66   0.20000  1.0 3.0
   47    50    51    55   0.17250  1.0 1.0
   47    50    51    55  -0.04100 -1.0 2.0
   47    50    51    55  -0.33850  1.0 3.0
   47    50    51    70   0.46850  1.0 1.0
   47    50    51    70   0.08550 -1.0 2.0
   47    50    51    70   0.09800  1.0 3.0
   47    50   -51    57   0.46850  1.0 1.0
   47    50   -51    57   0.08550 -1.0 2.0
   47    50   -51    57   0.09800  1.0 3.0
   47    50    52    53   7.00000 -1.0 2.0
   47    50    52    54   7.00000 -1.0 2.0
   48    47    50    51   0.34800  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.34800  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   50    51    55    56   0.30150 -1.0 2.0
   50    51    55    59   0.40000  1.0 3.0
   50    51    70    64   0.34400  1.0 1.0
   50    51    70    64   0.09450 -1.0 2.0
   50    51    70    64   0.11100  1.0 3.0
   50    51    70    71   0.15000  1.0 3.0
   50    51    70    72   0.15000  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    60   0.34400  1.0 1.0
   50    51    57    60   0.09450 -1.0 2.0
   50    51    57    60   0.11100  1.0 3.0
   50    51    57    63   0.34400  1.0 1.0
   50    51    57    63   0.09450 -1.0 2.0
   50    51    57    63   0.11100  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   51    55   -59    64   1.63150  1.0 1.0
   51    55   -59    64   2.92000 -1.0 2.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.15000  1.0 3.0
   51    57    60    39   0.56750  1.0 1.0
   51    57    60    39  -0.07550 -1.0 2.0
   51    57    60    39   0.20000  1.0 3.0
   51    57    63    38   0.34400  1.0 1.0
   51    57    63    38   0.09450 -1.0 2.0
   51    57    63    38   0.11100  1.0 3.0
   51    57   -63    45   0.56750  1.0 1.0
   51    57   -63    45  -0.07550 -1.0 2.0
   51    57   -63    45   0.20000  1.0 3.0
   51    57    63    66   0.56750  1.0 1.0
   51    57    63    66  -0.07550 -1.0 2.0
   51    57    63    66   0.20000  1.0 3.0
   55    51   -70    64  -0.95700  1.0 1.0
   55    51   -70    64  -0.18200 -1.0 2.0
   55    51   -70    64   0.29450  1.0 3.0
   55    51    70    71  -0.11250  1.0 3.0
   55    51    70    72  -0.11250  1.0 3.0
   55    51    57    58  -0.11250  1.0 3.0
   55    51    57    60  -0.95700  1.0 1.0
   55    51    57    60  -0.18200 -1.0 2.0
   55    51    57    60   0.29450  1.0 3.0
   55    51    57    63  -0.95700  1.0 1.0
   55    51    57    63  -0.18200 -1.0 2.0
   55    51    57    63   0.29450  1.0 3.0
   55    59    64    65   0.08050  1.0 3.0
   55    59    64    69  -0.43900 -1.0 2.0
   55    59    64    69   0.14100  1.0 3.0
   55    59   -64    70  -0.25900  1.0 1.0
   55    59   -64    70  -0.47000 -1.0 2.0
   55    59   -64    70   0.11750  1.0 3.0
   56    55    59    64   3.00000 -1.0 2.0
   59    64    69    75   0.64500  1.0 1.0
   59    64    69    75   0.14800 -1.0 2.0
   59    64    69    75   0.20650  1.0 3.0
   59    64    69    80   0.64500  1.0 1.0
   59    64    69    80   0.14800 -1.0 2.0
   59    64    69    80   0.20650  1.0 3.0
   59    64   -70    51   0.62750  1.0 1.0
   59    64   -70    51  -0.30950 -1.0 2.0
   59    64   -70    51   0.27300  1.0 3.0
   59    64    70    71   0.23400  1.0 3.0
   59    64    70    72   0.23400  1.0 3.0
   64    69    75    76   3.62500 -1.0 2.0
   64    69    75    77   3.62500 -1.0 2.0
   64    69    80    79   3.62500 -1.0 2.0
   64    69    80    81   3.62500 -1.0 2.0
   65    64    69    75   0.00000  1.0 1.0
   65    64    69    80   0.00000  1.0 1.0
   65    64    70    51   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   69    64    70    51  -0.03700  1.0 1.0
   69    64    70    51   0.37200 -1.0 2.0
   69    64    70    51  -0.47300  1.0 3.0
   69    64    70    71   0.43200  1.0 3.0
   69    64    70    72   0.43200  1.0 3.0
   69    75    77    78   3.62500 -1.0 2.0
   69    75   -77    79   3.62500 -1.0 2.0
   75    69   -80    79   3.62500 -1.0 2.0
   75    69    80    81   3.62500 -1.0 2.0
   75    77   -79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -80    69   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   80    69    75    76   3.62500 -1.0 2.0
   80    69   -75    77   3.62500 -1.0 2.0
   70    51    55    56   0.30150 -1.0 2.0
   70    51   -55    59   0.36750  1.0 3.0
   70    51    57    58   0.15000  1.0 3.0
   70    51    57    60   0.56750  1.0 1.0
   70    51    57    60  -0.07550 -1.0 2.0
   70    51    57    60   0.20000  1.0 3.0
   70    51    57    63   0.56750  1.0 1.0
   70    51    57    63  -0.07550 -1.0 2.0
   70    51    57    63   0.20000  1.0 3.0
   70    64    69    75   0.04150 -1.0 2.0
   70    64    69    80   0.04150 -1.0 2.0
   57    51    55    56   0.30150 -1.0 2.0
   57    51    55    59   0.36750  1.0 3.0
   57    51    70    64   0.56750  1.0 1.0
   57    51    70    64  -0.07550 -1.0 2.0
   57    51    70    64   0.20000  1.0 3.0
   57    51    70    71   0.15000  1.0 3.0
   57    51    70    72   0.15000  1.0 3.0
   57    60   -39    33   0.56750  1.0 1.0
   57    60   -39    33  -0.07550 -1.0 2.0
   57    60   -39    33   0.20000  1.0 3.0
   57    60    39    40   0.15000  1.0 3.0
   57    60    39    41   0.15000  1.0 3.0
   57    63    66    67   0.15000  1.0 3.0
   57    63    66    68   0.15000  1.0 3.0
   57    63    66    73   0.86500  1.0 1.0
   57    63    66    73  -0.17500 -1.0 2.0
   57    63    66    73   0.20800  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    39   0.15000  1.0 3.0
   58    57    63    38   0.15000  1.0 3.0
   58    57    63    45   0.15000  1.0 3.0
   58    57    63    66   0.15000  1.0 3.0
   60    57   -63    38   0.34400  1.0 1.0
   60    57   -63    38   0.09450 -1.0 2.0
   60    57   -63    38   0.11100  1.0 3.0
   60    57    63    45   0.56750  1.0 1.0
   60    57    63    45  -0.07550 -1.0 2.0
   60    57    63    45   0.20000  1.0 3.0
   60    57    63    66   0.56750  1.0 1.0
   60    57    63    66  -0.07550 -1.0 2.0
   60    57    63    66   0.20000  1.0 3.0
   61    60    39    33   0.15000  1.0 3.0
   61    60    39    40   0.15000  1.0 3.0
   61    60    39    41   0.15000  1.0 3.0
   62    60    39    33   0.15000  1.0 3.0
   62    60    39    40   0.15000  1.0 3.0
   62    60    39    41   0.15000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    63   0.46850  1.0 1.0
   39    33    38    63   0.08550 -1.0 2.0
   39    33    38    63   0.09800  1.0 3.0
   63    38    42    43   7.00000 -1.0 2.0
   63    38   -42    44   7.00000 -1.0 2.0
   63    45    47    48   0.15000  1.0 3.0
   63    45    47    49   0.15000  1.0 3.0
   63    45   -47    50   0.34400  1.0 1.0
   63    45   -47    50   0.09450 -1.0 2.0
   63    45   -47    50   0.11100  1.0 3.0
   63    57    60    61   0.15000  1.0 3.0
   63    57    60    62   0.15000  1.0 3.0
   63    57   -60    39   0.56750  1.0 1.0
   63    57   -60    39  -0.07550 -1.0 2.0
   63    57   -60    39   0.20000  1.0 3.0
   63    66    73    74  -0.11600  1.0 1.0
   63    66    73    74  -0.09450 -1.0 2.0
   63    66    73    74   0.21250  1.0 3.0
   67    66    73    74   0.19450  1.0 3.0
   68    66    73    74   0.19450  1.0 3.0
   52    50    51    55  -0.51250  1.0 1.0
   52    50    51    55  -0.88800 -1.0 2.0
   52    50    51    55   0.08850  1.0 3.0
   52    50    51    70   0.09850  1.0 1.0
   52    50    51    70   0.15250 -1.0 2.0
   52    50    51    70  -0.50650  1.0 3.0
   52    50    51    57   0.09850  1.0 1.0
   52    50    51    57   0.15250 -1.0 2.0
   52    50    51    57  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    63    38    42   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
   47    51    50    52   1.10000 -1.0 2.0
   51    59    55    56  10.50000 -1.0 2.0
   75    80    69    64   4.00000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   79    81    80    69   1.10000 -1.0 2.0
   53    54    52    50   1.10000 -1.0 2.0
END
