* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    148    216     433
    1     0 S   NP   _N1_     1    28.85911    97.28474   -23.12494
    2     1 S   H    _HN1     2     1.02794   105.19001   -87.43327
    3     1 S   H    _H1_     3     1.02949    63.46408    15.82344
    4     1 S   H    _H2_     4     1.02829    46.97157   172.09508
    5     1 S   CT   _CA1     5     1.50128   141.68469   105.66369
    6     5 S   HC   _HA1     6     1.09573   105.17525   105.01576
    7     5 S   CO3  _C1_     7     1.53774   112.42735   -15.21061
    8     7 S   O2Z  _O11     8     1.26373   115.00546   -43.08434
    9     7 S   O2Z  _O12     9     1.26232   114.94473   135.93741
   10     5 S   CT   _CB1    10     1.53063   107.40741  -137.01001
   11    10 S   HC   HB11    11     1.09840   109.35225   -49.35048
   12    10 S   HC   HB12    12     1.09811   110.46229    67.24121
   13    10 S   CT   _CG1    13     1.53024   112.64627  -170.28600
   14    13 S   HC   HG11    14     1.09571   110.71578   -66.67070
   15    13 S   HC   HG12    15     1.09669   109.71967    52.58238
   16    13 S   C    _CD1    16     1.51819   112.01273   173.06820
   17    16 S   O    _OE1    17     1.22758   123.17016    11.24451
   18    16 S   N    _N2_    18     1.38637   111.82600  -168.84236
   19    18 S   H    _HN2    19     1.01594   119.03555     1.41789
   20    18 S   CT1  _CA2    20     1.46221   123.38846   176.77523
   21    20 S   HC   _HA2    21     1.09763   109.22112     5.86100
   22    20 S   C    _C2_    22     1.53633   108.99354  -109.28479
   23    22 S   O    _O2_    23     1.23062   122.27340  -149.38042
   24    20 S   CT   _CB2    32     1.53246   111.53788   127.69331
   25    24 S   HC   HB21    33     1.09619   110.40253    54.00930
   26    24 S   HC   HB22    34     1.09523   110.24243   172.81690
   27    22 S   N    _N3_    24     1.38362   113.73134    38.64556
   28    27 S   H    _HN3    25     1.01542   119.58668    -4.73110
   29    24 S   S    _SG2    35     1.82740   111.18375   -67.12946
   30    27 S   CT   _CA3    26     1.45291   123.27165   176.80990
   31    30 S   HC   HA31    27     1.09556   107.71159   -58.14220
   32    30 S   HC   HA32    28     1.09548   107.77997    58.28909
   33    29 S   CM   _C12    36     1.76575    99.17817  -178.49001
   34    30 S   CO3  _C3_    29     1.52986   113.99961   179.92598
   35    34 S   O2Z  _O31    30     1.26402   116.05467    -6.33546
   36    34 S   O2Z  _O32    31     1.26428   114.47671   173.64553
   37    33 S   CM   _C11    37     1.35394   121.51329    84.66839
   38    37 S   HC   _H15    38     1.08521   116.99687  -179.88131
   39    33 S   CT   _C13    57     1.54517   115.17337   -94.19192
   40    39 S   OM   _O35    58     1.32581   106.91078   -99.97323
   41    39 S   HC   _H3_    59     1.10165   106.13208    27.61094
   42    37 S   CM   _C10    39     1.45098   128.21802     1.56873
   43    42 S   HC   _H14    40     1.08713   117.10667     4.77364
   44    39 S   CT   _C14    60     1.55939   115.04830   141.23118
   45    44 S   HC   _H16    61     1.10093   109.03291   177.19537
   46    44 S   HC   _H17    62     1.09893   111.90956    60.71404
   47    42 S   CM   _C9_    41     1.34332   126.78787  -175.41439
   48    47 S   HC   _H13    42     1.09014   116.44342  -179.44362
   49    44 S   CT   _C15    63     1.53713   112.93285   -63.12690
   50    49 S   HC   _H18    64     1.09538   109.00856   -56.64064
   51    49 S   HC   _H19    65     1.09540   110.36258    60.98615
   52    47 S   CT   _C8_    43     1.50211   128.70429     0.52823
   53    52 S   HC   _H11    44     1.09211   112.68710    -9.58595
   54    52 S   HC   _H12    45     1.09737   108.11971  -125.12400
   55    49 S   CT   _C16    66     1.53112   110.89472  -177.95531
   56    55 S   HC   _H20    67     1.09674   109.97139    59.05968
   57    55 S   HC   _H21    68     1.09646   108.80678   -57.37751
   58    52 S   CM   _C7_    46     1.50184   111.30095   116.36661
   59    58 S   HC   _H10    47     1.08928   115.44965    73.34498
   60    55 S   CT   _C17    69     1.53087   113.27904  -177.83400
   61    60 S   HC   _H22    70     1.09656   109.86289    52.52333
   62    60 S   HC   _H23    71     1.09715   108.09527   168.66996
   63    58 S   CM   _C6_    48     1.34223   127.40617  -107.66106
   64    63 S   HC   _H9_    49     1.08901   117.22827  -179.17008
   65    60 S   CT   _C18    72     1.53088   113.05972   -70.71551
   66    65 S   HC   _H24    73     1.09481   109.95022    62.33626
   67    65 S   HC   _H25    74     1.09675   109.39392   -55.10676
   68    63 S   CT   _C5_    50     1.50001   127.40190     2.28353
   69    68 S   HC   _H7_    51     1.09618   108.36290   127.73189
   70    68 S   HC   _H8_    52     1.09342   112.09166    10.80116
   71    65 S   CT   _C19    75     1.53203   111.18615  -176.12126
   72    71 S   HC   _H26    76     1.09648   109.76212   -60.53625
   73    71 S   HC   _H27    77     1.09704   109.11886    56.10572
   74    68 S   CT   _C4_    53     1.52039   111.30633  -112.06029
   75    74 S   HC   _H4_    54     1.09527   111.11402    62.09272
   76    74 S   HC   _H5_    55     1.09456   110.26328  -178.21096
   77    74 S   HC   _H6_    56     1.09531   111.28682   -58.52160
   78    71 S   CT   _C20    78     1.52609   112.30233   176.25153
   79    78 S   HC   _H28    79     1.09733   108.50487  -171.47843
   80    78 S   HC   _H29    80     1.09719   109.38854   -55.41638
   81    78 S   CO3  _C21    81     1.53183   116.46427    68.68720
   82    81 S   O2Z  _O34    82     1.26470   114.28039  -155.53926
   83    81 S   O2Z  _O33    83     1.26145   116.30281    25.22827
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1  10   4  10   5   4   7   3   9   5   4   7   4
   9   5   4   7   4   3   9   5   4   7   3   9   5   4   8   4
   9   5   4   6   5   4   8   5   4   3   2   1   1   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    39    40    41    44    45    46    49  
   35    36  
   36  
    0  
   38    42    43    47    48    52    39    40    41    44  
   42    43    47    39  
   40    41    44    45    46    49    50    51    55    42  
   41    44    45    46    49  
   44    45    46    49  
   43    47    48    52    53    54    58  
   47    48    52  
   45    46    49    50    51    55    56    57    60  
   46    49    50    51    55  
   49    50    51    55  
   48    52    53    54    58    59    63  
   52    53    54    58  
   50    51    55    56    57    60    61    62    65  
   51    55    56    57    60  
   55    56    57    60  
   53    54    58    59    63    64    68  
   54    58    59    63  
   58    59    63  
   56    57    60    61    62    65    66    67    71  
   57    60    61    62    65  
   60    61    62    65  
   59    63    64    68    69    70    74  
   63    64    68  
   61    62    65    66    67    71    72    73    78  
   62    65    66    67    71  
   65    66    67    71  
   64    68    69    70    74    75    76    77  
   68    69    70    74  
   66    67    71    72    73    78    79    80    81  
   67    71    72    73    78  
   71    72    73    78  
   69    70    74    75    76    77  
   70    74    75    76    77  
   74    75    76    77  
   72    73    78    79    80    81    82    83  
   73    78    79    80    81  
   78    79    80    81  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   240.000  1.763
   33    37   549.000  1.340
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    42   380.000  1.444
   42    43   340.000  1.080
   42    47   549.000  1.340
   47    48   340.000  1.080
   47    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   317.000  1.510
   58    59   340.000  1.080
   58    63   549.000  1.340
   63    64   340.000  1.080
   63    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.522
   81    82   656.000  1.250
   81    83   656.000  1.250
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    39    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    42    70.00000  123.01800
   33    39    40    85.00000  110.90400
   33    39    41    35.00000  109.50000
   33    39    44    70.00000  112.02700
   37    42    43    35.00000  120.00000
   37    42    47    70.00000  123.01800
   42    37    38    35.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    52    70.00000  124.00000
   47    42    43    35.00000  120.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    58    70.00000  110.12100
   52    47    48    35.00000  117.00000
   52    58    59    35.00000  117.00000
   52    58    63    70.00000  124.00000
   54    52    53    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    35.00000  109.50000
   58    63    64    35.00000  120.00000
   58    63    68    70.00000  124.00000
   63    58    59    35.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    74    70.00000  112.02700
   68    63    64    35.00000  117.00000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   39    33    37    70.00000  124.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   44    39    40    50.00000  109.50000
   44    39    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    78    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    70.00000  109.69300
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   78    81    82    70.00000  117.00000
   78    81    83    70.00000  117.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   83    81    82    80.00000  126.00000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    39   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    42   7.00000 -1.0 2.0
   29    33    39    40   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.00000  1.0 1.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    37    42    43  -0.18600  1.0 3.0
   33    37    42    47   0.28850  1.0 1.0
   33    37    42    47   2.61350 -1.0 2.0
   33    37    42    47   0.78400  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    49   0.34400  1.0 1.0
   33    39    44    49   0.09450 -1.0 2.0
   33    39    44    49   0.11100  1.0 3.0
   37    33    39    40   0.39000  1.0 1.0
   37    33    39    40  -0.05800 -1.0 2.0
   37    33    39    40  -0.55150  1.0 3.0
   37    33    39    41   0.00000  1.0 1.0
   37    33    39    44   0.09850  1.0 1.0
   37    33    39    44   0.15250 -1.0 2.0
   37    33    39    44  -0.50650  1.0 3.0
   37    42    47    48   7.00000 -1.0 2.0
   37    42    47    52   7.00000 -1.0 2.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    47  -0.18600  1.0 3.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    54   0.00000  1.0 1.0
   42    47    52    58  -0.28300  1.0 1.0
   42    47    52    58   0.26700 -1.0 2.0
   42    47    52    58  -0.63300  1.0 3.0
   43    42    47    48   7.00000 -1.0 2.0
   43    42    47    52   7.00000 -1.0 2.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    63  -0.28300  1.0 1.0
   47    52    58    63   0.26700 -1.0 2.0
   47    52    58    63  -0.63300  1.0 3.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    54   0.33100  1.0 3.0
   48    47    52    58   0.00000  1.0 1.0
   52    58    63    64   7.00000 -1.0 2.0
   52    58    63    68   7.00000 -1.0 2.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    63   0.00000  1.0 1.0
   54    52    58    59   0.33100  1.0 3.0
   54    52    58    63   0.00000  1.0 1.0
   58    63    68    69   0.00000  1.0 1.0
   58    63    68    70   0.00000  1.0 1.0
   58    63    68    74   0.09850  1.0 1.0
   58    63    68    74   0.15250 -1.0 2.0
   58    63    68    74  -0.50650  1.0 3.0
   59    58    63    64   7.00000 -1.0 2.0
   59    58    63    68   7.00000 -1.0 2.0
   63    68    74    75   0.15000  1.0 3.0
   63    68    74    76   0.15000  1.0 3.0
   63    68    74    77   0.15000  1.0 3.0
   64    63    68    69   0.33100  1.0 3.0
   64    63    68    70   0.33100  1.0 3.0
   64    63    68    74   0.00000  1.0 1.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    77   0.15000  1.0 3.0
   39    33    37    38   7.00000 -1.0 2.0
   39    33    37    42   7.00000 -1.0 2.0
   39    44    49    50   0.15000  1.0 3.0
   39    44    49    51   0.15000  1.0 3.0
   39    44    49    55   0.56750  1.0 1.0
   39    44    49    55  -0.07550 -1.0 2.0
   39    44    49    55   0.20000  1.0 3.0
   40    39    44    45   0.23400  1.0 3.0
   40    39    44    46   0.23400  1.0 3.0
   40    39    44    49   0.62750  1.0 1.0
   40    39    44    49  -0.30950 -1.0 2.0
   40    39    44    49   0.27300  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    46   0.15000  1.0 3.0
   41    39    44    49   0.15000  1.0 3.0
   44    49    55    56   0.15000  1.0 3.0
   44    49    55    57   0.15000  1.0 3.0
   44    49    55    60   0.56750  1.0 1.0
   44    49    55    60  -0.07550 -1.0 2.0
   44    49    55    60   0.20000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    55   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    55   0.15000  1.0 3.0
   49    55    60    61   0.15000  1.0 3.0
   49    55    60    62   0.15000  1.0 3.0
   49    55    60    65   0.56750  1.0 1.0
   49    55    60    65  -0.07550 -1.0 2.0
   49    55    60    65   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    60   0.15000  1.0 3.0
   55    60    65    66   0.15000  1.0 3.0
   55    60    65    67   0.15000  1.0 3.0
   55    60    65    71   0.56750  1.0 1.0
   55    60    65    71  -0.07550 -1.0 2.0
   55    60    65    71   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    65   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    65   0.15000  1.0 3.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    78   0.56750  1.0 1.0
   60    65    71    78  -0.07550 -1.0 2.0
   60    65    71    78   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    71   0.15000  1.0 3.0
   65    71    78    79   0.15000  1.0 3.0
   65    71    78    80   0.15000  1.0 3.0
   65    71    78    81  -1.63150  1.0 1.0
   65    71    78    81  -0.43550 -1.0 2.0
   65    71    78    81   0.24500  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    78   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    78   0.15000  1.0 3.0
   71    78    81    82   0.41150 -1.0 2.0
   71    78    81    83   0.41150 -1.0 2.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81  -0.11250  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    81  -0.11250  1.0 3.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   80    78    81    83   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   29    39    33    37  15.00000 -1.0 2.0
   42    38    37    33  15.00000 -1.0 2.0
   37    43    42    47  15.00000 -1.0 2.0
   52    48    47    42  15.00000 -1.0 2.0
   52    59    58    63  15.00000 -1.0 2.0
   68    64    63    58  15.00000 -1.0 2.0
   82    78    81    83  10.50000 -1.0 2.0
END
