* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    237     447
    1     0 S   NP   _N1_     1    28.06031    96.53453   -24.04417
    2     1 S   H    _HN1     2     1.02836    30.50142   154.90200
    3     1 S   H    _H1_     3     1.02777   108.89898  -111.73994
    4     1 S   H    _H2_     4     1.02958    78.16635    -6.19511
    5     1 S   CT   _CA1     5     1.50133   131.86934   100.67696
    6     5 S   HC   _HA1     6     1.09575   105.20849    85.30675
    7     5 S   CO3  _C1_     7     1.53778   112.35163   -34.86632
    8     7 S   O2Z  _O11     8     1.26365   114.99630   -44.16138
    9     7 S   O2Z  _O12     9     1.26234   114.92727   134.89271
   10     5 S   CT   _CB1    10     1.53091   107.41486  -156.80651
   11    10 S   HC   HB11    11     1.09829   109.30147   -50.58750
   12    10 S   HC   HB12    12     1.09815   110.44211    65.95583
   13    10 S   CT   _CG1    13     1.53024   112.68852  -171.65840
   14    13 S   HC   HG11    14     1.09593   110.50454   -64.89129
   15    13 S   HC   HG12    15     1.09658   109.90835    54.31721
   16    13 S   C    _CD1    16     1.51845   112.28370   174.66212
   17    16 S   O    _OE1    17     1.22759   123.27928     1.10358
   18    16 S   N    _N2_    18     1.38567   111.74299  -178.85329
   19    18 S   H    _HN2    19     1.01558   119.04881     4.16490
   20    18 S   CT1  _CA2    20     1.45815   122.82860   177.73973
   21    20 S   HC   _HA2    21     1.09733   108.88667    24.81023
   22    20 S   C    _C2_    22     1.52949   107.07695   -92.18805
   23    22 S   O    _O2_    23     1.22974   123.08284   -26.26230
   24    20 S   CT   _CB2    32     1.53167   112.29989   147.94779
   25    24 S   HC   HB21    33     1.09602   110.28731    54.17776
   26    24 S   HC   HB22    34     1.09452   110.08520   173.01135
   27    22 S   N    _N3_    24     1.38503   112.53094   156.47139
   28    27 S   H    _HN3    25     1.01656   120.33560    -2.24437
   29    24 S   S    _SG2    35     1.82699   111.20060   -66.31150
   30    27 S   CT   _CA3    26     1.45353   122.52006   178.55004
   31    30 S   HC   HA31    27     1.09567   107.86190   -54.75201
   32    30 S   HC   HA32    28     1.09560   107.57194    61.59813
   33    29 S   CT   _C15    36     1.86993    99.39485  -178.60408
   34    33 S   HC   _H3_    37     1.09749   103.72821   -36.29785
   35    30 S   CO3  _C3_    29     1.52894   114.29324  -176.67439
   36    35 S   O2Z  _O31    30     1.26341   116.04804     0.34943
   37    35 S   O2Z  _O32    31     1.26432   114.41783  -179.70926
   38    33 S   CT   _C8_    38     1.57050   106.77580    78.45581
   39    38 S   HC   _H27    39     1.09292   111.52783   102.61493
   40    38 S   HC   _H28    40     1.09868   109.67272   -11.18097
   41    33 S   CT   _C16    63     1.60201   112.67400  -151.11484
   42    41 S   OM   _O18    64     1.31832   110.23721   -84.51424
   43    38 S   CT   _C9_    41     1.54058   117.04011  -129.55920
   44    43 S   HC   _H29    42     1.09720   108.51534    53.27066
   45    43 S   HC   _H30    43     1.09806   108.01838   167.22995
   46    41 S   CT   _C19    65     1.55586   113.21537    33.88399
   47    46 S   HC   _H41    66     1.09771   113.49315   -69.45138
   48    46 S   HC   _H42    67     1.09933   111.46386   170.93386
   49    46 S   HC   _H43    68     1.09710   110.84333    52.01468
   50    43 S   C3T  _C17    44     1.50824   115.69938   -71.12534
   51    50 S   C3T  _C13    45     1.53520   117.71361   -43.24111
   52    51 S   HC   _H35    46     1.08212   120.71568    -2.74224
   53    50 S   CT   _C20    77     1.50634   115.36926   123.02567
   54    53 S   HC   _H44    78     1.09293   112.93843   179.69804
   55    53 S   HC   _H45    79     1.09587   109.74807    60.24773
   56    53 S   HC   _H46    80     1.09415   111.13107   -58.48032
   57    51 S   CT   _C12    47     1.49528   122.71725   150.68204
   58    57 S   HC   _H34    48     1.09411   112.29971    14.57935
   59    50 S   O3T  _O22    76     1.44470   115.59936  -107.76194
   60    57 S   CT   _C11    49     1.53708   111.56756  -112.05706
   61    60 S   HC   _H33    50     1.09614   109.49196   -36.53947
   62    60 S   CM   _C4_    51     1.49710    99.63394  -146.77030
   63    60 S   CT   _C14    58     1.54980   115.81366    87.54614
   64    63 S   HC   _H36    59     1.09706   109.33012   178.93780
   65    62 S   CO4  _C5_    52     1.47769   108.53103    23.42383
   66    65 S   O    _O19    53     1.21768   127.01105   169.42344
   67    62 S   CM   _C6_    55     1.33620   130.09630  -155.77324
   68    67 S   HC   _H25    56     1.08456   121.23470    -0.87514
   69    67 S   HC   _H26    57     1.08525   121.65464   179.50268
   70    63 S   CT   _C10    60     1.54741   115.01415   -56.85406
   71    70 S   HC   _H31    61     1.08247   107.59123    52.74883
   72    70 S   HC   _H32    62     1.10145   107.41948   160.20232
   73    63 S   OS   _O23    69     1.45698   106.67000    60.91641
   74    57 S   OS   _O21    54     1.44233   108.59046   132.31270
   75    73 S   CO4  _C7_    70     1.36234   117.80167   147.16875
   76    75 S   O    _O20    71     1.22292   126.56719     0.35277
   77    75 S   CT   _C18    72     1.49832   109.38257  -179.65965
   78    77 S   HC   _H38    73     1.09292   109.82298   -60.97360
   79    77 S   HC   _H39    74     1.09378   109.37040   179.97202
   80    77 S   HC   _H40    75     1.09294   109.81355    60.92363
  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
  18   8   2   1   1  13   6   5  13   8  11   5   4   7   3   2
   1  11  14   6   5   3   2   1  13   7   2  15   8  10  11   5
   5   2   3   1   1   4   2   1   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    70    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    63    70    71    72    41    42    46    47    48    49  
   38    39    40    43    70    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    70    41    42    46    59    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    73    43    60    63    64    70    71    72  
   46    47    48    49    63    70    71    72  
   44    45    50    51    52    57    59    53    54    55    56  
   45    50    51    59    53  
   50    51    59    53  
   47    48    49    63    70    71    72  
   48    49    70  
   49    70  
   70  
   51    52    57    58    60    74    59    53    54    55    56  
   52    57    58    60    61    62    65    74    63    59    53    54    55    56  
   57    58    60    74    59    53  
   54    55    56    57    59  
   55    56    59  
   56    59  
   59  
   58    60    61    62    65    66    74    67    63    64    70    73    59  
   60    61    62    65    74    63    59  
   60    74  
   61    62    65    66    74    67    68    69    63    64    70    71    72    73    75  
   62    65    74    67    63    64    70    73  
   65    66    74    67    68    69    63    64    70    73  
   64    70    71    72    73    75    76    77    65    67    74  
   70    71    72    73    75  
   66    74    67    68    69  
   74    67  
   68    69    74  
   69  
    0  
   71    72    73    75  
   72    73  
   73  
   75    76    77    78    79    80  
    0  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   275.000  1.510
   50    51   260.000  1.509
   50    59   335.000  1.432
   50    53   275.000  1.510
   51    52   340.000  1.088
   51    57   275.000  1.510
   51    59   335.000  1.432
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    74   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    74   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    70    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.37300
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    60.00000  120.94000
   43    50    59    80.00000  116.47100
   43    50    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    45.00000  109.38400
   50    43    45    45.00000  109.38400
   50    51    52    37.50000  117.20000
   50    51    57    60.00000  120.94000
   50    51    59    15.00000   60.43100
   50    59    51    15.00000   59.14900
   50    53    54    45.00000  109.38400
   50    53    55    45.00000  109.38400
   50    53    56    45.00000  109.38400
   51    57    58    45.00000  109.38400
   51    57    60    70.00000  112.37300
   51    57    74    50.00000  109.50000
   57    51    52    40.00000  115.04500
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    58.35000  112.70000
   57    74    65    83.00000  116.90000
   60    57    58    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    70    58.35000  112.70000
   60    63    73    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    74    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   74    57    58    35.00000  109.50000
   74    57    60    50.00000  109.50000
   74    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    41    58.35000  112.70000
   63    73    75    83.00000  116.90000
   70    63    64    37.50000  110.70000
   70    41    42    50.00000  109.50000
   70    41    46    58.35000  112.70000
   72    70    71    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    70    71    37.50000  110.70000
   41    70    72    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   73    63    64    35.00000  109.50000
   73    63    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   77    75    76    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
   59    50    51    15.00000   60.43100
   59    51    52    50.00000  114.27700
   59    51    57    80.00000  116.47100
   53    50    51    60.00000  120.94000
   53    50    59    80.00000  116.47100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    70   0.44750  1.0 1.0
   29    33    41    70  -0.17800 -1.0 2.0
   29    33    41    70   0.20200  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    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.47050  1.0 1.0
   33    38    43    50   0.03900 -1.0 2.0
   33    38    43    50   0.20100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    70   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    70   0.56750  1.0 1.0
   38    33    41    70  -0.07550 -1.0 2.0
   38    33    41    70   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.07850  1.0 1.0
   38    43    50    51  -0.03950 -1.0 2.0
   38    43    50    51   0.67350  1.0 3.0
   38    43    50    59   0.02550  1.0 1.0
   38    43    50    59  -0.02600 -1.0 2.0
   38    43    50    59   1.20400  1.0 3.0
   38    43    50    53   0.56750  1.0 1.0
   38    43    50    53  -0.07550 -1.0 2.0
   38    43    50    53   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   0.15000  1.0 3.0
   43    50    51    57   0.56750  1.0 1.0
   43    50    51    57  -0.07550 -1.0 2.0
   43    50    51    57   0.20000  1.0 3.0
   43    50   -51    59   0.02550  1.0 1.0
   43    50   -51    59  -0.02600 -1.0 2.0
   43    50   -51    59   1.20400  1.0 3.0
   43    50   -59    51   0.06250  1.0 1.0
   43    50   -59    51  -0.01100 -1.0 2.0
   43    50   -59    51   0.28050  1.0 3.0
   43    50    53    54   0.15000  1.0 3.0
   43    50    53    55   0.15000  1.0 3.0
   43    50    53    56   0.15000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    59   0.23400  1.0 3.0
   44    43    50    53   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    59   0.23400  1.0 3.0
   45    43    50    53   0.15000  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    60   0.07850  1.0 1.0
   50    51    57    60  -0.03950 -1.0 2.0
   50    51    57    60   0.67350  1.0 3.0
   50    51    57    74  -0.26800  1.0 1.0
   50    51    57    74   0.69150 -1.0 2.0
   50    51    57    74  -0.48750  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.34400  1.0 1.0
   51    57    60    62   0.09450 -1.0 2.0
   51    57    60    62   0.11100  1.0 3.0
   51    57    60    63   0.47050  1.0 1.0
   51    57    60    63   0.03900 -1.0 2.0
   51    57    60    63   0.20100  1.0 3.0
   51    57    74    65  -0.25900  1.0 1.0
   51    57    74    65  -0.47000 -1.0 2.0
   51    57    74    65   0.11750  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    51    57    74   0.23400  1.0 3.0
   52    51   -59    50   0.36800  1.0 3.0
   57    51   -59    50   0.06250  1.0 1.0
   57    51   -59    50  -0.01100 -1.0 2.0
   57    51   -59    50   0.28050  1.0 3.0
   57    60   -62    65   0.09700  1.0 1.0
   57    60   -62    65   0.15600 -1.0 2.0
   57    60   -62    65  -0.50800  1.0 3.0
   57    60    62    67   0.09850  1.0 1.0
   57    60    62    67   0.15250 -1.0 2.0
   57    60    62    67  -0.50650  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    70   0.56750  1.0 1.0
   57    60    63    70  -0.07550 -1.0 2.0
   57    60    63    70   0.20000  1.0 3.0
   57    60    63    73   0.62750  1.0 1.0
   57    60    63    73  -0.30950 -1.0 2.0
   57    60    63    73   0.27300  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    74    65   0.08050  1.0 3.0
   60    57   -74    65  -0.25900  1.0 1.0
   60    57   -74    65  -0.47000 -1.0 2.0
   60    57   -74    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    74  -0.15000  1.0 1.0
   60    62   -65    74   0.89550 -1.0 2.0
   60    62   -65    74  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    70    71   0.15000  1.0 3.0
   60    63    70    72   0.15000  1.0 3.0
   60    63    70    41   0.56750  1.0 1.0
   60    63    70    41  -0.07550 -1.0 2.0
   60    63    70    41   0.20000  1.0 3.0
   60    63    73    75  -0.25900  1.0 1.0
   60    63    73    75  -0.47000 -1.0 2.0
   60    63    73    75   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    70   0.15000  1.0 3.0
   61    60    63    73   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    70   0.34400  1.0 1.0
   62    60    63    70   0.09450 -1.0 2.0
   62    60    63    70   0.11100  1.0 3.0
   62    60    63    73   0.61850  1.0 1.0
   62    60    63    73  -0.22750 -1.0 2.0
   62    60    63    73   0.15300  1.0 3.0
   62    65   -74    57   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    74    57   3.00000 -1.0 2.0
   74    57    60    61   0.23400  1.0 3.0
   74    57   -60    62   0.61850  1.0 1.0
   74    57   -60    62  -0.22750 -1.0 2.0
   74    57   -60    62   0.15300  1.0 3.0
   74    57    60    63   0.62750  1.0 1.0
   74    57    60    63  -0.30950 -1.0 2.0
   74    57    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    74  -0.56150  1.0 1.0
   67    62    65    74   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    41    33   0.56750  1.0 1.0
   63    70    41    33  -0.07550 -1.0 2.0
   63    70    41    33   0.20000  1.0 3.0
   63    70    41    42   0.62750  1.0 1.0
   63    70    41    42  -0.30950 -1.0 2.0
   63    70    41    42   0.27300  1.0 3.0
   63    70    41    46   0.56750  1.0 1.0
   63    70    41    46  -0.07550 -1.0 2.0
   63    70    41    46   0.20000  1.0 3.0
   63    73    75    76   3.00000 -1.0 2.0
   63    73    75    77   1.63150  1.0 1.0
   63    73    75    77   2.92000 -1.0 2.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    73    75   0.08050  1.0 3.0
   70    63    73    75  -0.25900  1.0 1.0
   70    63    73    75  -0.47000 -1.0 2.0
   70    63    73    75   0.11750  1.0 3.0
   70    41    46    47   0.15000  1.0 3.0
   70    41    46    48   0.15000  1.0 3.0
   70    41    46    49   0.15000  1.0 3.0
   71    70    41    33   0.15000  1.0 3.0
   71    70    41    42   0.23400  1.0 3.0
   71    70    41    46   0.15000  1.0 3.0
   72    70    41    33   0.15000  1.0 3.0
   72    70    41    42   0.23400  1.0 3.0
   72    70    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   73    63    70    71   0.23400  1.0 3.0
   73    63    70    72   0.23400  1.0 3.0
   73    63    70    41   0.62750  1.0 1.0
   73    63    70    41  -0.30950 -1.0 2.0
   73    63    70    41   0.27300  1.0 3.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   73    75    77    80   0.00000  1.0 1.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   59    50   -51    52   0.23400  1.0 3.0
   59    50   -51    57   0.02550  1.0 1.0
   59    50   -51    57  -0.02600 -1.0 2.0
   59    50   -51    57   1.20400  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    55   0.23400  1.0 3.0
   59    50    53    56   0.23400  1.0 3.0
   59    51    57    58   0.23400  1.0 3.0
   59    51    57    60   0.02550  1.0 1.0
   59    51    57    60  -0.02600 -1.0 2.0
   59    51    57    60   1.20400  1.0 3.0
   59    51    57    74   1.11900  1.0 1.0
   59    51    57    74  -1.16350 -1.0 2.0
   59    51    57    74  -0.34150  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50   -51    59   0.02550  1.0 1.0
   53    50   -51    59  -0.02600 -1.0 2.0
   53    50   -51    59   1.20400  1.0 3.0
   53    50   -59    51   0.06250  1.0 1.0
   53    50   -59    51  -0.01100 -1.0 2.0
   53    50   -59    51   0.28050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
END
