* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    210     431
    1     0 S   NP   _N1_     1    28.61334    94.58248   -21.17209
    2     1 S   H    _HN1     2     1.02836    30.92161   152.40955
    3     1 S   H    _H1_     3     1.02779    88.23692   -77.06741
    4     1 S   H    _H2_     4     1.02963    91.80876    31.20910
    5     1 S   CT   _CA1     5     1.50109   141.58427   158.14016
    6     5 S   HC   _HA1     6     1.09575   105.25656    56.00136
    7     5 S   CO3  _C1_     7     1.53806   112.39318   -64.24315
    8     7 S   O2Z  _O11     8     1.26355   115.01759   -44.17992
    9     7 S   O2Z  _O12     9     1.26242   114.92357   135.08283
   10     5 S   CT   _CB1    10     1.53102   107.43261   173.91691
   11    10 S   HC   HB11    11     1.09821   109.37479   -51.01795
   12    10 S   HC   HB12    12     1.09823   110.39197    65.54014
   13    10 S   CT   _CG1    13     1.52991   112.65044  -172.15705
   14    13 S   HC   HG11    14     1.09603   110.35899   -62.43125
   15    13 S   HC   HG12    15     1.09642   110.07485    56.77390
   16    13 S   C    _CD1    16     1.51800   112.33391   177.12949
   17    16 S   O    _OE1    17     1.22709   123.28660    -6.24633
   18    16 S   N    _N2_    18     1.38595   111.56843   174.03041
   19    18 S   H    _HN2    19     1.01590   118.99504     1.45952
   20    18 S   CT1  _CA2    20     1.46226   123.48488  -178.33329
   21    20 S   HC   _HA2    21     1.09728   109.44868   -11.98662
   22    20 S   C    _C2_    22     1.53417   108.34122  -127.73024
   23    22 S   O    _O2_    23     1.23015   122.24318  -145.80243
   24    20 S   CT   _CB2    32     1.53418   111.14104   110.16099
   25    24 S   HC   HB21    33     1.09511   109.43816    54.43525
   26    24 S   HC   HB22    34     1.09487   110.49723   173.12993
   27    22 S   N    _N3_    24     1.38508   113.36643    41.58323
   28    27 S   H    _HN3    25     1.01527   118.91232    -0.63827
   29    24 S   S    _SG2    35     1.82895   111.52759   -67.53572
   30    27 S   CT   _CA3    26     1.45454   123.48158   175.09152
   31    30 S   HC   HA31    27     1.09520   109.28199    23.54943
   32    30 S   HC   HA32    28     1.09497   107.11166   140.56282
   33    29 S   CT   _C13    36     1.85994   100.70586   154.13166
   34    30 S   CO3  _C3_    29     1.52923   113.07684   -99.95715
   35    34 S   O2Z  _O31    30     1.26406   115.38968   -44.74699
   36    34 S   O2Z  _O32    31     1.26352   114.99232   136.17638
   37    33 S   CO4  _C6_    37     1.53727   109.00505  -179.66312
   38    37 S   O    _O20    38     1.23174   122.89638    20.89245
   39    33 S   OS   _O23    81     1.43401   112.05808   -55.58679
   40    37 S   CM   _C4_    39     1.50582   117.89484  -162.75295
   41    39 S   CT   _C19    82     1.42221   116.39126   -69.65584
   42    41 S   HC   _H43    83     1.09376   107.78916   175.88353
   43    41 S   HC   _H44    84     1.09289   111.81209    57.39274
   44    41 S   HC   _H45    85     1.09333   111.02593   -66.29276
   45    40 S   CM   _C5_    40     1.34829   120.73860    13.49046
   46    40 S   CT   _C14    77     1.50504   114.06067  -164.68170
   47    46 S   HC   _H28    78     1.09497   110.14489   -70.94822
   48    46 S   HC   _H29    79     1.09223   113.57380   167.97764
   49    46 S   HC   _H30    80     1.09582   110.37772    48.77203
   50    45 S   CO4  _C7_    41     1.50018   119.73017     3.91807
   51    50 S   O    _O21    42     1.23086   120.85298  -169.98137
   52    45 S   CT   _C20    50     1.51384   124.85567  -178.72912
   53    52 S   HC   _H46    51     1.09485   109.82268  -143.06598
   54    52 S   HC   _H47    52     1.09615   110.57418   -29.35449
   55    33 S   CT   _C12    43     1.53887   109.23626    62.69669
   56    55 S   HC   _H27    44     1.09840   109.94263   -67.47051
   57    52 S   CM   _C8_    53     1.50546   111.96089    91.31161
   58    57 S   HC   _H25    54     1.08986   114.44988   -60.44967
   59    55 S   OS   _O22    45     1.42661   111.22486    56.43310
   60    57 S   CM   _C10    55     1.34771   127.73165   121.61822
   61    59 S   CT   _C18    46     1.42177   113.11408  -156.64859
   62    61 S   HC   _H40    47     1.09332   108.19720   179.30451
   63    61 S   HC   _H41    48     1.09422   110.45862    60.71648
   64    61 S   HC   _H42    49     1.09356   110.96836   -61.85155
   65    60 S   CT   _C15    56     1.50656   120.31299   178.63585
   66    65 S   HC   _H31    57     1.09493   110.25042   119.66544
   67    65 S   HC   _H32    58     1.09516   112.36299    -0.27268
   68    65 S   HC   _H33    59     1.09456   110.46817  -120.35686
   69    60 S   CT   _C22    60     1.51230   124.59142    -1.90732
   70    69 S   HC   _H50    61     1.09827   109.14509  -143.52703
   71    69 S   HC   _H51    62     1.09526   110.81920   -28.57211
   72    69 S   CT   _C21    63     1.53075   111.93048    94.37508
   73    72 S   HC   _H48    64     1.09518   110.51498   -54.74113
   74    72 S   HC   _H49    65     1.09738   110.12383    61.44142
   75    72 S   CM   _C9_    66     1.50320   111.18831  -179.01722
   76    75 S   HC   _H26    67     1.08934   114.28636   -79.83122
   77    75 S   CM   _C11    68     1.34663   127.42309   101.00875
   78    77 S   CT   _C16    69     1.50533   120.54298   178.53740
   79    78 S   HC   _H34    70     1.09494   110.28887   119.12306
   80    78 S   HC   _H35    71     1.09511   112.39674    -1.01162
   81    78 S   HC   _H36    72     1.09496   110.20362  -121.05662
   82    77 S   CT   _C17    73     1.50282   124.97346    -2.24838
   83    82 S   HC   _H37    74     1.09478   110.10782   114.30745
   84    82 S   HC   _H38    75     1.09542   110.05394  -126.35603
   85    82 S   HC   _H39    76     1.09235   113.46327    -6.79714
  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  10   5   4   3
  16   2   1   1  14   5   9  12   4   2   1   1  15   5   2   1
   1   9   4   8   4   3   6   2  10   3   4  11   3   2   1   1
   7   3   2   1   8   5   4   7   4   3  10   3   8   7   3   2
   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    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    55    56    59    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    50    51    55    56    59    61    46    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    50    55    56    59    52    46    47    48    49    39    41  
   40    45    55    46    39  
   41    42    43    44    40    50    55    56    59  
   45    50    51    55    52    53    54    57    46    47    48    49  
   42    43    44    55  
   43    44  
   44  
    0  
   50    51    55    56    59    52    53    54    57    58    60    46    47    48    49  
   47    48    49    50    52  
   48    49  
   49  
    0  
   51    55    56    59    61    52    53    54    57  
   55    56    59    52  
   53    54    57    58    60    65    69    55  
   54    57    58    60  
   57    58    60  
   56    59    61    62    63    64  
   59    61  
   58    60    65    66    67    68    69    70    71    72  
   60    65    69  
   61    62    63    64  
   65    66    67    68    69    70    71    72    73    74    75  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    82  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82    83    84    85  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    55   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    46   317.000  1.510
   45    50   320.000  1.462
   45    52   317.000  1.510
   50    51   570.000  1.229
   50    55   317.000  1.522
   55    56   340.000  1.090
   55    59   320.000  1.410
   59    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    65   317.000  1.510
   60    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    55    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    55    50    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    59    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    46    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    50    65.00000  118.96000
   40    45    52    70.00000  124.00000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   45    50    51    80.00000  123.72100
   45    50    55    65.00000  118.62400
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    57    70.00000  110.12100
   50    55    56    35.00000  109.50000
   50    55    59    90.00000  108.74100
   55    33    37    63.00000  111.10000
   55    50    51    80.00000  120.40000
   55    59    61    60.00000  109.50000
   59    55    56    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    45    50    65.00000  116.34900
   52    57    58    35.00000  117.00000
   52    57    60    70.00000  124.00000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    60    65    70.00000  124.00000
   57    60    69    70.00000  124.00000
   60    57    58    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    60    65    65.00000  117.92700
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    70.00000  112.02700
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    35.00000  117.00000
   72    75    77    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    82    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   46    40    45    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    55    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    59   0.56750  1.0 1.0
   29    33    55    59  -0.07550 -1.0 2.0
   29    33    55    59   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    46   0.25700  1.0 1.0
   33    37    40    46   0.66200 -1.0 2.0
   33    37    40    46   0.04450  1.0 3.0
   33    55    59    61   0.06250  1.0 1.0
   33    55    59    61  -0.01100 -1.0 2.0
   33    55    59    61   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    55    50   0.11950  1.0 1.0
   37    33    55    50   0.20300 -1.0 2.0
   37    33    55    50  -0.70800  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    59  -0.09450  1.0 1.0
   37    33    55    59  -1.12950 -1.0 2.0
   37    33    55    59   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    50   7.00000 -1.0 2.0
   37    40    45    52   7.00000 -1.0 2.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    49   0.15000  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    46  -0.64400  1.0 1.0
   38    37    40    46   0.26850 -1.0 2.0
   40    45    50    51   1.00000 -1.0 2.0
   40    45    50    55  -0.33500  1.0 1.0
   40    45    50    55   1.06600 -1.0 2.0
   40    45    50    55  -0.14000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    57  -0.28300  1.0 1.0
   40    45    52    57   0.26700 -1.0 2.0
   40    45    52    57  -0.63300  1.0 3.0
   45    40    46    47   0.00000  1.0 1.0
   45    40    46    48   0.00000  1.0 1.0
   45    40    46    49   0.00000  1.0 1.0
   45    50   -55    33   0.65300  1.0 1.0
   45    50   -55    33  -0.03850 -1.0 2.0
   45    50   -55    33   0.33900  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    59   0.65300  1.0 1.0
   45    50    55    59  -0.03850 -1.0 2.0
   45    50    55    59   0.33900  1.0 3.0
   45    52    57    58   0.00000  1.0 1.0
   45    52    57    60  -0.28300  1.0 1.0
   45    52    57    60   0.26700 -1.0 2.0
   45    52    57    60  -0.63300  1.0 3.0
   50    45    52    53   0.15000  1.0 3.0
   50    45    52    54   0.15000  1.0 3.0
   50    45    52    57   0.09700  1.0 1.0
   50    45    52    57   0.15600 -1.0 2.0
   50    45    52    57  -0.50800  1.0 3.0
   50    55    59    61  -1.11000  1.0 1.0
   50    55    59    61   0.50250 -1.0 2.0
   50    55    59    61   0.47450  1.0 3.0
   51    50    55    33   0.30150 -1.0 2.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    59   0.30150 -1.0 2.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33   -37    40   0.65300  1.0 1.0
   55    33   -37    40  -0.03850 -1.0 2.0
   55    33   -37    40   0.33900  1.0 3.0
   55    33    39    41   0.06250  1.0 1.0
   55    33    39    41  -0.01100 -1.0 2.0
   55    33    39    41   0.28050  1.0 3.0
   55    59    61    62   0.37050  1.0 3.0
   55    59    61    63   0.37050  1.0 3.0
   55    59    61    64   0.37050  1.0 3.0
   56    55    59    61   0.37050  1.0 3.0
   52    45    50    51  -0.64400  1.0 1.0
   52    45    50    51   0.26850 -1.0 2.0
   52    45    50    55   0.25700  1.0 1.0
   52    45    50    55   0.66200 -1.0 2.0
   52    45    50    55   0.04450  1.0 3.0
   52    57    60    65   7.00000 -1.0 2.0
   52    57    60    69   7.00000 -1.0 2.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    60   0.00000  1.0 1.0
   54    52    57    58   0.33100  1.0 3.0
   54    52    57    60   0.00000  1.0 1.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    67   0.00000  1.0 1.0
   57    60    65    68   0.00000  1.0 1.0
   57    60    69    70   0.00000  1.0 1.0
   57    60    69    71   0.00000  1.0 1.0
   57    60    69    72   0.09850  1.0 1.0
   57    60    69    72   0.15250 -1.0 2.0
   57    60    69    72  -0.50650  1.0 3.0
   58    57    60    65   7.00000 -1.0 2.0
   58    57    60    69   7.00000 -1.0 2.0
   60    69    72    73   0.15000  1.0 3.0
   60    69    72    74   0.15000  1.0 3.0
   60    69    72    75   0.31000  1.0 1.0
   60    69    72    75   0.14700 -1.0 2.0
   60    69    72    75   0.07550  1.0 3.0
   65    60    69    70   0.34800  1.0 3.0
   65    60    69    71   0.34800  1.0 3.0
   65    60    69    72   0.46850  1.0 1.0
   65    60    69    72   0.08550 -1.0 2.0
   65    60    69    72   0.09800  1.0 3.0
   69    60    65    66   0.34800  1.0 3.0
   69    60    65    67   0.34800  1.0 3.0
   69    60    65    68   0.34800  1.0 3.0
   69    72    75    76   0.00000  1.0 1.0
   69    72    75    77   0.09850  1.0 1.0
   69    72    75    77   0.15250 -1.0 2.0
   69    72    75    77  -0.50650  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    77    78   7.00000 -1.0 2.0
   72    75    77    82   7.00000 -1.0 2.0
   73    72    75    76   0.33100  1.0 3.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.33100  1.0 3.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    80   0.00000  1.0 1.0
   75    77    78    81   0.00000  1.0 1.0
   75    77    82    83   0.00000  1.0 1.0
   75    77    82    84   0.00000  1.0 1.0
   75    77    82    85   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    82   7.00000 -1.0 2.0
   78    77    82    83   0.34800  1.0 3.0
   78    77    82    84   0.34800  1.0 3.0
   78    77    82    85   0.34800  1.0 3.0
   82    77    78    79   0.34800  1.0 3.0
   82    77    78    80   0.34800  1.0 3.0
   82    77    78    81   0.34800  1.0 3.0
   46    40    45    50   7.00000 -1.0 2.0
   46    40    45    52   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    55    50  -0.09450  1.0 1.0
   39    33    55    50  -1.12950 -1.0 2.0
   39    33    55    50   0.54000  1.0 3.0
   39    33    55    56   0.23400  1.0 3.0
   39    33    55    59   1.11900  1.0 1.0
   39    33    55    59  -1.16350 -1.0 2.0
   39    33    55    59  -0.34150  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    46    40    45   1.10000 -1.0 2.0
   50    52    45    40   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
   52    58    57    60  15.00000 -1.0 2.0
   65    69    60    57  15.00000 -1.0 2.0
   72    76    75    77  15.00000 -1.0 2.0
   78    82    77    75  15.00000 -1.0 2.0
END
