* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    158    240     464
    1     0 S   NP   _N1_     1    28.90789    93.41664   -20.13258
    2     1 S   H    _HN1     2     1.02788    89.92734   -87.53939
    3     1 S   H    _H1_     3     1.02944    88.65338    20.81345
    4     1 S   H    _H2_     4     1.02835    32.11051   147.14080
    5     1 S   CT   _CA1     5     1.50208   142.80076   143.97983
    6     5 S   HC   _HA1     6     1.09582   105.07839    61.23175
    7     5 S   CO3  _C1_     7     1.53712   112.06331   -58.66577
    8     7 S   O2Z  _O11     8     1.26372   114.99504   -48.04467
    9     7 S   O2Z  _O12     9     1.26208   114.90130   130.35104
   10     5 S   CT   _CB1    10     1.53051   107.29526   178.86616
   11    10 S   HC   HB11    11     1.09839   109.07007   -49.60260
   12    10 S   HC   HB12    12     1.09784   110.56632    66.85394
   13    10 S   CT   _CG1    13     1.53088   112.83789  -170.60313
   14    13 S   HC   HG11    14     1.09560   110.58558   -69.93666
   15    13 S   HC   HG12    15     1.09663   109.85221    49.35212
   16    13 S   C    _CD1    16     1.51943   111.88752   169.51330
   17    16 S   O    _OE1    17     1.22794   123.04043     9.38557
   18    16 S   N    _N2_    18     1.38675   112.01985  -170.62640
   19    18 S   H    _HN2    19     1.01588   119.09359    -0.55214
   20    18 S   CT1  _CA2    20     1.46363   123.21357   177.08228
   21    20 S   HC   _HA2    21     1.09763   109.14389    -5.91211
   22    20 S   C    _C2_    22     1.53431   108.50582  -121.06112
   23    22 S   O    _O2_    23     1.23033   122.38883  -148.77210
   24    20 S   CT   _CB2    32     1.53462   112.03904   116.00966
   25    24 S   HC   HB21    33     1.09115   110.14228    61.67795
   26    24 S   HC   HB22    34     1.09563   110.01874   178.89111
   27    22 S   N    _N3_    24     1.38381   113.48758    38.84358
   28    27 S   H    _HN3    25     1.01624   119.45634    -3.76598
   29    24 S   S    _SG2    35     1.82676   110.66596   -63.26679
   30    27 S   CT   _CA3    26     1.45272   123.20343   176.91714
   31    30 S   HC   HA31    27     1.09550   107.57855   -62.90661
   32    30 S   HC   HA32    28     1.09557   107.89907    53.50873
   33    29 S   CT   _C22    36     1.89123   103.46976   131.46024
   34    30 S   CO3  _C3_    29     1.52950   114.09732   175.48256
   35    34 S   O2Z  _O31    30     1.26375   116.06079     0.34943
   36    34 S   O2Z  _O32    31     1.26427   114.41448  -179.60933
   37    33 S   CT   _C23    37     1.55173   108.44318   -53.49820
   38    37 S   HC   _H20    38     1.09582   112.21388   -46.04660
   39    37 S   HC   _H21    39     1.09363   112.59930    76.16498
   40    37 S   HC   _H22    40     1.09683   110.82316  -165.12431
   41    33 S   CT   _C24    41     1.58141   107.87011    68.28581
   42    41 S   OM   _O37    42     1.32670   109.50776   179.03592
   43    41 S   HC   _H23    43     1.10168   106.15471   -54.60944
   44    41 S   HC   _H24    44     1.10269   106.04443    51.86687
   45    33 S   CT   _C14    45     1.58085   107.14246  -169.64748
   46    45 S   HC   _H5_    46     1.09840   107.94241   175.44981
   47    45 S   CM   _C15    47     1.51161   116.02980   -61.22109
   48    47 S   HC   _H14    48     1.08707   116.93084    63.28462
   49    45 S   OS   _O34    62     1.45207   107.46601    59.44489
   50    47 S   CM   _C16    49     1.34233   123.74741  -118.40935
   51    50 S   HC   _H15    50     1.08538   118.91558     0.95347
   52    49 S   CO4  _C13    63     1.36140   119.26382   146.19673
   53    52 S   O    _O33    64     1.22345   126.29181     4.05289
   54    50 S   CM   _C17    51     1.44670   122.61407  -178.87517
   55    54 S   HC   _H16    52     1.08947   115.64777    -1.62196
   56    52 S   CT1  _C12    65     1.52400   108.51085  -176.88636
   57    56 S   HC   _H4_    66     1.09749   109.08505    22.86559
   58    54 S   CM   _C18    53     1.34276   127.61222   178.35016
   59    58 S   HC   _H17    54     1.08943   116.72527   179.91153
   60    56 S   CT   _C5_    67     1.54486   110.90417  -100.13068
   61    60 S   HC   _H3_    68     1.09939   108.10129   -59.98212
   62    56 S   N    _N4_    84     1.45833   105.40391   137.66417
   63    62 S   H    _H25    85     1.01524   118.54421    95.26237
   64    58 S   CM   _C19    55     1.44811   127.62987    -0.31466
   65    64 S   HC   _H18    56     1.08528   117.81707    -0.02798
   66    60 S   CA   _C6_    69     1.52330   111.85774    59.07879
   67    60 S   CT   _C4_    80     1.53537   111.78095  -177.05589
   68    67 S   HC   _H6_    81     1.09530   111.84504   -58.13297
   69    67 S   HC   _H7_    82     1.09602   110.87730  -178.29383
   70    67 S   HC   _H8_    83     1.09488   111.14984    62.31549
   71    62 S   C    _C25    86     1.38479   122.08937   -81.46356
   72    71 S   O    _O38    87     1.22818   125.19604     3.32107
   73    64 S   CM   _C20    57     1.34108   122.47847  -179.93439
   74    73 S   HC   _H19    58     1.08929   119.85614    -0.20748
   75    66 S   CA   _C7_    70     1.40397   121.60108    61.93922
   76    75 S   HA   _H9_    71     1.08681   120.61732     0.84163
   77    71 S   CT   _C26    88     1.50390   112.70366  -178.51562
   78    77 S   HC   _H26    89     1.09381   110.69777    39.38296
   79    77 S   HC   _H27    90     1.09352   109.50391   158.90389
   80    77 S   HC   _H28    91     1.09318   109.30214   -81.20728
   81    73 S   CO3  _C21    59     1.53474   122.04890   179.85463
   82    81 S   O2Z  _O36    60     1.26237   117.01366    -1.81994
   83    81 S   O2Z  _O35    61     1.26631   113.86552   178.31182
   84    75 S   CA   _C8_    72     1.39575   120.69593  -178.32217
   85    84 S   HA   _H10    73     1.08641   119.83801   179.40620
   86    84 S   CA   _C9_    74     1.39272   120.07367    -0.17471
   87    86 S   HA   _H11    75     1.08601   120.03614   179.77794
   88    86 S   CA   _C10    76     1.39308   119.90037     0.00000
   89    88 S   HA   _H12    77     1.08624   119.98653   179.69868
   90    66 S   CA   _C11    78     1.40326   119.80967  -116.58285
   91    90 S   HA   _H13    79     1.08731   120.48941    -0.90352
  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  13   5   4   3
  15   2   1   1  11   4   3   2   7   3   2   1  10   5   8   4
   7   6   3  10   4   6   3  15   7   6   3  15   8   9   3   6
   3  13   5   2   1   1   5   4   4   3   8   4   3   2   1   1
   2   1   1   6   3   5   3   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    50    49    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    49  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    49  
   43    44    45  
   44    45  
   45  
   46    47    48    50    51    54    49    52    53    56  
   47    48    50    49    52  
   48    50    51    54    55    58    49    52  
   50    51    54    49  
   52    53    56    57    60    62    50  
   51    54    55    58    59    64  
   54    55    58  
   53    56    57    60    61    66    67    62    63    71  
   56    57    60    62  
   55    58    59    64    65    73  
   58    59    64  
   57    60    61    66    75    90    67    68    69    70    62    63    71    72    77  
   60    61    66    67    62    63    71  
   59    64    65    73    74    81  
   64    65    73  
   61    66    75    76    84    88    90    91    67    68    69    70    62    63    71  
   66    75    90    67    68    69    70    62  
   63    71    72    77    78    79    80    66    67  
   71    72    77  
   65    73    74    81    82    83  
   73    74    81  
   75    76    84    85    86    88    89    90    91    67    68    69    70  
   68    69    70    75    90  
   69    70  
   70  
    0  
   72    77    78    79    80  
   77    78    79    80  
   74    81    82    83  
   81    82    83  
   76    84    85    86    87    88    90    91  
   84    85    86    90  
   78    79    80  
   79    80  
   80  
    0  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88  
   87    88    89    90    91  
   88    89    90  
   89    90    91  
   90    91  
   91  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.910300   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
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   317.000  1.510
   45    49   320.000  1.410
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    54   380.000  1.444
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    64   380.000  1.444
   64    65   340.000  1.080
   64    73   549.000  1.340
   73    74   340.000  1.080
   73    81   230.000  1.545
   81    82   656.000  1.250
   81    83   656.000  1.250
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    56   255.000  1.522
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   337.000  1.449
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    67   268.000  1.529
   66    75   469.000  1.400
   66    90   469.000  1.400
   75    76   367.000  1.080
   75    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   62    63   434.000  1.010
   62    71   490.000  1.335
   71    72   570.000  1.229
   71    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    70.00000  112.02700
   33    45    49    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    45.00000  125.66300
   44    41    42    45.00000  125.66300
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    47    48    35.00000  117.00000
   45    47    50    70.00000  124.00000
   45    49    52    83.00000  116.90000
   47    45    46    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    54    70.00000  123.01800
   50    47    48    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    70.00000  123.01800
   58    54    55    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    73    70.00000  123.01800
   64    58    59    35.00000  120.00000
   64    73    74    35.00000  120.00000
   64    73    81    55.00000  124.75400
   73    64    65    35.00000  120.00000
   73    81    82    85.00000  113.83300
   73    81    83    85.00000  113.83300
   81    73    74    40.00000  118.53000
   83    81    82    80.00000  126.00000
   49    45    46    35.00000  109.50000
   49    45    47    85.00000  110.90400
   49    52    53    83.00000  123.40000
   49    52    56    90.00000  109.72300
   52    56    57    45.00000  110.09800
   52    56    60    70.00000  110.61500
   52    56    62    80.00000  110.29000
   56    52    53    75.00000  123.42600
   56    60    61    37.50000  110.70000
   56    60    66    63.00000  114.00000
   56    60    67    58.35000  112.70000
   56    62    63    38.00000  118.40000
   56    62    71    50.00000  121.90000
   60    56    57    37.50000  110.70000
   60    66    75    70.00000  120.00000
   60    66    90    70.00000  120.00000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   66    60    61    35.00000  109.50000
   66    75    76    35.00000  120.00000
   66    75    84    63.00000  120.00000
   66    90    88    63.00000  120.00000
   66    90    91    35.00000  120.00000
   75    84    85    35.00000  120.00000
   75    84    86    63.00000  120.00000
   84    75    76    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   90    66    75    63.00000  120.00000
   90    88    89    35.00000  120.00000
   67    60    61    37.50000  110.70000
   67    60    66    70.00000  112.17500
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    60    80.00000  109.70000
   62    71    72    80.00000  122.90000
   62    71    77    70.00000  116.60000
   71    62    63    35.00000  119.80000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   77    71    72    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.56750  1.0 1.0
   29    33    45    47  -0.07550 -1.0 2.0
   29    33    45    47   0.20000  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  1.0 3.0
   33    45    47    48   0.00000  1.0 1.0
   33    45    47    50   0.09850  1.0 1.0
   33    45    47    50   0.15250 -1.0 2.0
   33    45    47    50  -0.50650  1.0 3.0
   33    45    49    52  -0.25900  1.0 1.0
   33    45    49    52  -0.47000 -1.0 2.0
   33    45    49    52   0.11750  1.0 3.0
   37    33    41    42   0.62750  1.0 1.0
   37    33    41    42  -0.30950 -1.0 2.0
   37    33    41    42   0.27300  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.34400  1.0 1.0
   37    33    45    47   0.09450 -1.0 2.0
   37    33    45    47   0.11100  1.0 3.0
   37    33    45    49   0.62750  1.0 1.0
   37    33    45    49  -0.30950 -1.0 2.0
   37    33    45    49   0.27300  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.34400  1.0 1.0
   41    33    45    47   0.09450 -1.0 2.0
   41    33    45    47   0.11100  1.0 3.0
   41    33    45    49   0.62750  1.0 1.0
   41    33    45    49  -0.30950 -1.0 2.0
   41    33    45    49   0.27300  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.62750  1.0 1.0
   45    33    41    42  -0.30950 -1.0 2.0
   45    33    41    42   0.27300  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    47    50    51   7.00000 -1.0 2.0
   45    47    50    54   7.00000 -1.0 2.0
   45    49    52    53   3.00000 -1.0 2.0
   45    49    52    56   1.63150  1.0 1.0
   45    49    52    56   2.92000 -1.0 2.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    50   0.00000  1.0 1.0
   46    45    49    52   0.08050  1.0 3.0
   47    45    49    52  -0.82050  1.0 1.0
   47    45    49    52   0.00600 -1.0 2.0
   47    45    49    52   0.04400  1.0 3.0
   47    50    54    55  -0.18600  1.0 3.0
   47    50    54    58   0.28850  1.0 1.0
   47    50    54    58   2.61350 -1.0 2.0
   47    50    54    58   0.78400  1.0 3.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    54   7.00000 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    64   7.00000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58  -0.18600  1.0 3.0
   54    58    64    65  -0.18600  1.0 3.0
   54    58    64    73   0.28850  1.0 1.0
   54    58    64    73   2.61350 -1.0 2.0
   54    58    64    73   0.78400  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    64   7.00000 -1.0 2.0
   58    64    73    74   7.00000 -1.0 2.0
   58    64    73    81   7.00000 -1.0 2.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    73  -0.18600  1.0 3.0
   64    73    81    82  -0.04000 -1.0 2.0
   64    73    81    82  -0.29050  1.0 3.0
   64    73    81    83  -0.04000 -1.0 2.0
   64    73    81    83  -0.29050  1.0 3.0
   65    64    73    74   7.00000 -1.0 2.0
   65    64    73    81   7.00000 -1.0 2.0
   74    73    81    82   0.00000  1.0 1.0
   74    73    81    83   0.00000  1.0 1.0
   49    45    47    48   0.00000  1.0 1.0
   49    45    47    50   0.39000  1.0 1.0
   49    45    47    50  -0.05800 -1.0 2.0
   49    45    47    50  -0.55150  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    60   0.36750  1.0 3.0
   49    52    56    62   0.40000  1.0 3.0
   52    56    60    61  -0.03800  1.0 3.0
   52    56    60    66  -0.84850  1.0 1.0
   52    56    60    66  -0.22800 -1.0 2.0
   52    56    60    66   0.29250  1.0 3.0
   52    56    60    67  -0.84850  1.0 1.0
   52    56    60    67  -0.22800 -1.0 2.0
   52    56    60    67   0.29250  1.0 3.0
   52    56    62    63   0.00000  1.0 1.0
   52    56    62    71  -0.29800  1.0 1.0
   52    56    62    71   0.13950 -1.0 2.0
   52    56    62    71  -2.45650  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   56    60    66    75   0.00000  1.0 1.0
   56    60    66    90   0.00000  1.0 1.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    70   0.15000  1.0 3.0
   56    62    71    72   3.04450 -1.0 2.0
   56    62    71    77   1.15000  1.0 1.0
   56    62    71    77   3.04450 -1.0 2.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    66   0.23100  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    71   0.00000  1.0 1.0
   60    56    62    63   0.00000  1.0 1.0
   60    56    62    71   0.25950  1.0 1.0
   60    56    62    71   0.43850 -1.0 2.0
   60    56    62    71   2.61650  1.0 3.0
   60    66    75    76   3.62500 -1.0 2.0
   60    66    75    84   3.62500 -1.0 2.0
   60    66    90    88   3.62500 -1.0 2.0
   60    66    90    91   3.62500 -1.0 2.0
   61    60    66    75   0.00000  1.0 1.0
   61    60    66    90   0.00000  1.0 1.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   66    60    67    68   0.43200  1.0 3.0
   66    60    67    69   0.43200  1.0 3.0
   66    60    67    70   0.43200  1.0 3.0
   66    75    84    85   3.62500 -1.0 2.0
   66    75    84    86   3.62500 -1.0 2.0
   75    66    90    88   3.62500 -1.0 2.0
   75    66    90    91   3.62500 -1.0 2.0
   75    84    86    87   3.62500 -1.0 2.0
   75    84   -86    88   3.62500 -1.0 2.0
   76    75    84    85   3.62500 -1.0 2.0
   76    75    84    86   3.62500 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86    88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88   -90    66   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   89    88    90    66   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    66    75    76   3.62500 -1.0 2.0
   90    66   -75    84   3.62500 -1.0 2.0
   67    60    66    75   0.04150 -1.0 2.0
   67    60    66    90   0.04150 -1.0 2.0
   62    56    60    61   0.23200  1.0 3.0
   62    56    60    66   0.42250  1.0 1.0
   62    56    60    66  -0.48100 -1.0 2.0
   62    56    60    66   0.35650  1.0 3.0
   62    56    60    67   0.42250  1.0 1.0
   62    56    60    67  -0.48100 -1.0 2.0
   62    56    60    67   0.35650  1.0 3.0
   62    71    77    78   0.00000  1.0 1.0
   62    71    77    79   0.00000  1.0 1.0
   62    71    77    80   0.00000  1.0 1.0
   63    62    71    72   2.45000 -1.0 2.0
   63    62    71    77   2.45000 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   72    71    77    80   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
   45    48    47    50  15.00000 -1.0 2.0
   54    51    50    47  15.00000 -1.0 2.0
   50    55    54    58  15.00000 -1.0 2.0
   64    59    58    54  15.00000 -1.0 2.0
   58    65    64    73  15.00000 -1.0 2.0
   81    74    73    64  15.00000 -1.0 2.0
   82    73    81    83  10.50000 -1.0 2.0
   49    56    52    53  10.50000 -1.0 2.0
   75    90    66    60   4.00000 -1.0 2.0
   84    76    75    66   1.10000 -1.0 2.0
   86    85    84    75   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   88    91    90    66   1.10000 -1.0 2.0
   63    71    62    56   1.00000 -1.0 2.0
   62    77    71    72  10.50000 -1.0 2.0
END
