* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     459
    1     0 S   NP   _N1_     1    28.23297    94.48970   -22.76456
    2     1 S   H    _HN1     2     1.02782    97.67132  -129.60996
    3     1 S   H    _H1_     3     1.02952    89.70660   -21.13975
    4     1 S   H    _H2_     4     1.02842    24.85835   113.95227
    5     1 S   CT   _CA1     5     1.50114   134.89546    98.06109
    6     5 S   HC   _HA1     6     1.09562   105.25830    66.28916
    7     5 S   CO3  _C1_     7     1.53823   112.36104   -54.10471
    8     7 S   O2Z  _O11     8     1.26384   114.99147   -43.16432
    9     7 S   O2Z  _O12     9     1.26217   114.98152   136.04469
   10     5 S   CT   _CB1    10     1.53079   107.45837  -175.57340
   11    10 S   HC   HB11    11     1.09824   109.60956   -48.59906
   12    10 S   HC   HB12    12     1.09775   110.27428    67.99223
   13    10 S   CT   _CG1    13     1.52996   112.58197  -169.55986
   14    13 S   HC   HG11    14     1.09584   110.58241   -61.33732
   15    13 S   HC   HG12    15     1.09641   109.91189    57.89762
   16    13 S   C    _CD1    16     1.51731   112.25361   178.54761
   17    16 S   O    _OE1    17     1.22741   123.34665     2.15013
   18    16 S   N    _N2_    18     1.38537   111.78942  -178.17673
   19    18 S   H    _HN2    19     1.01546   119.29017     4.81995
   20    18 S   CT1  _CA2    20     1.45685   122.50754  -176.94098
   21    20 S   HC   _HA2    21     1.09771   108.19952    33.89268
   22    20 S   C    _C2_    22     1.52910   107.99780   -83.33706
   23    22 S   O    _O2_    23     1.22932   123.15072   -26.18717
   24    20 S   CT   _CB2    32     1.53290   112.47066   156.43650
   25    24 S   HC   HB21    33     1.09598   110.71119    57.72406
   26    24 S   HC   HB22    34     1.09346   109.74215   175.83482
   27    22 S   N    _N3_    24     1.38525   112.31910   156.59543
   28    27 S   H    _HN3    25     1.01626   120.30627    -2.47037
   29    24 S   S    _SG2    35     1.82489   111.11653   -62.07305
   30    27 S   CT   _CA3    26     1.45319   122.68484   178.50970
   31    30 S   HC   HA31    27     1.09559   108.00281   -52.41319
   32    30 S   HC   HA32    28     1.09554   107.47769    63.99769
   33    29 S   CT   _C24    36     1.84030   100.30878  -149.64275
   34    33 S   HC   _H3_    37     1.09683   106.70372   -43.86668
   35    30 S   CO3  _C3_    29     1.52921   114.16737  -174.35139
   36    35 S   O2Z  _O31    30     1.26356   116.03994     2.27288
   37    35 S   O2Z  _O32    31     1.26425   114.43107  -177.82309
   38    33 S   CT   _C22    38     1.53090   107.27395  -158.58690
   39    38 S   HC   _H48    39     1.09527   112.35695   -62.94099
   40    38 S   HC   _H49    40     1.09437   111.10031   176.22198
   41    38 S   HC   _H50    41     1.09652   111.03828    57.85438
   42    33 S   CT   _C23    42     1.54653   112.39010    75.33274
   43    42 S   HC   _H51    43     1.09775   109.54974   -56.21618
   44    42 S   CO4  _C14    44     1.52270   113.16701    63.39482
   45    44 S   O    _O24    45     1.22348   124.55836    86.17228
   46    42 S   CT   _C21    83     1.53202   112.24943  -172.58722
   47    46 S   HC   _H45    84     1.09457   112.27234   -66.07046
   48    46 S   HC   _H46    85     1.09605   110.36586   174.69821
   49    46 S   HC   _H47    86     1.09482   110.84883    55.24217
   50    44 S   OS   _O27    46     1.36320   109.45311   -93.94835
   51    50 S   CT   _C15    47     1.44226   118.44159  -179.69481
   52    51 S   HC   _H34    48     1.09686   110.74860   -17.91267
   53    51 S   CA   _C7_    49     1.50477   107.10180  -137.32355
   54    53 S   CA   _C8_    50     1.39910   121.06807  -103.26110
   55    54 S   CA   _C5_    51     1.39954   120.38165  -179.25454
   56    55 S   HA   _H31    52     1.08736   120.09603   179.34300
   57    54 S   OS   _O26    64     1.36957   124.35166    -0.25023
   58    55 S   CA   _C4_    53     1.39598   120.59617    -1.52893
   59    58 S   HA   _H30    54     1.08699   119.15833  -179.14020
   60    57 S   CT   _C17    65     1.44047   117.23144    13.07365
   61    58 S   CA   _C6_    55     1.39362   119.92064    -0.00000
   62    51 S   CT   _C16    66     1.53511   110.50448   102.88378
   63    62 S   HC   _H35    67     1.10072   107.75580  -168.76265
   64    60 S   CT   _C19    75     1.54052   105.44987  -158.69691
   65    64 S   HC   _H39    76     1.09646   110.89322   -55.80593
   66    64 S   HC   _H40    77     1.09480   112.05298  -176.98280
   67    64 S   HC   _H41    78     1.09624   110.77579    61.71513
   68    60 S   CT   _C20    79     1.53777   108.71435    86.30564
   69    68 S   HC   _H42    80     1.09676   110.45713    60.51201
   70    68 S   HC   _H43    81     1.09353   112.15256   -56.45448
   71    68 S   HC   _H44    82     1.09443   111.94688  -178.97990
   72    53 S   CA   _C9_    56     1.40425   121.03349    75.58143
   73    62 S   OS   _O28    68     1.44174   110.57848   -48.98602
   74    72 S   OS   _O25    57     1.41509   118.14106     0.27411
   75    73 S   CO4  _C13    69     1.36265   117.20789   -83.12543
   76    75 S   O    _O23    70     1.22300   126.39766    -1.05610
   77    74 S   CO4  _C12    58     1.38992   122.29944  -178.05620
   78    77 S   O    _O22    59     1.22584   122.11763   178.87135
   79    75 S   CT   _C18    71     1.49813   109.45460   178.66411
   80    79 S   HC   _H36    72     1.09289   109.79612   -61.77913
   81    79 S   HC   _H37    73     1.09374   109.36395   179.14499
   82    79 S   HC   _H38    74     1.09290   109.84286    60.11877
   83    77 S   CM   _C11    60     1.47289   116.61934    -1.38013
   84    83 S   HC   _H33    61     1.08430   117.26292  -179.66080
   85    61 S   CM   _C10    62     1.45312   121.83336  -178.49976
   86    85 S   HC   _H32    63     1.08441   119.02529    -0.13848
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  15   7  14  12   8   4  14   7   3  12   7  14   4   8
   3   2   1   4   2   1   1   6   6   5   5   4   5   3   3   2
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    62    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    72    60    62    63    73  
   52    53    54    55    61    72    74    57    60    62    63    73    75    64    68  
   53    54    72    60    62    63    73  
   54    55    56    58    61    72    74    77    85    57    60    62    63    73  
   55    56    58    59    61    72    74    57    60    62    64    68  
   56    58    59    61    72    85    57    60  
   58    59    61    57  
   60    62    63    73    64    65    66    67    68    69    70    71    58    72  
   59    61    72    74    83    85    86  
   61    72    85  
   62    63    73    75    64    65    66    67    68    69    70    71  
   72    74    77    83    84    85    86  
   63    73    75    76    79    64    65    66    67    68    69    70    71    72  
   73    75    64    68  
   65    66    67    68    69    70    71    73  
   66    67    68  
   67    68  
   68  
   69    70    71    73  
   70    71  
   71  
    0  
   74    77    78    83    85    86  
   75    76    79    80    81    82  
   77    78    83    84    85  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    86  
   83    84    85  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.215000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   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    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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    62   268.000  1.529
   53    54   469.000  1.400
   53    72   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    72   469.000  1.400
   61    85   320.000  1.460
   72    74   450.000  1.364
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   57    60   320.000  1.410
   60    62   268.000  1.529
   60    64   268.000  1.529
   60    68   268.000  1.529
   62    63   340.000  1.090
   62    73   320.000  1.410
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    62    50.00000  109.50000
   51    53    54    70.00000  120.00000
   51    53    72    70.00000  120.00000
   51    62    60    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    73    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    57    70.00000  120.00000
   53    72    61    63.00000  120.00000
   53    72    74    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   55    58    61    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    72    63.00000  120.00000
   58    61    85    60.00000  120.93500
   61    58    59    35.00000  120.00000
   61    72    74    70.00000  120.00000
   61    85    83    60.00000  123.20500
   61    85    86    40.00000  117.26300
   72    53    54    63.00000  120.00000
   72    74    77    85.00000  115.98000
   74    77    78    83.00000  123.40000
   74    77    83    90.00000  111.29400
   77    83    84    40.00000  117.72500
   77    83    85    65.00000  118.96000
   83    77    78    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    61    72    60.00000  120.93500
   85    83    84    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    62    50.00000  109.50000
   57    60    64    50.00000  109.50000
   57    60    68    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    73    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   62    51    52    37.50000  110.70000
   62    51    53    70.00000  112.17500
   62    73    75    83.00000  116.90000
   73    62    63    35.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   79    75    76    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   64    60    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    62    58.35000  112.70000
   68    60    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    62  -0.25900  1.0 1.0
   44    50    51    62  -0.47000 -1.0 2.0
   44    50    51    62   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.64500  1.0 1.0
   50    51    53    54   0.14800 -1.0 2.0
   50    51    53    54   0.20650  1.0 3.0
   50    51    53    72   0.64500  1.0 1.0
   50    51    53    72   0.14800 -1.0 2.0
   50    51    53    72   0.20650  1.0 3.0
   50    51    62    60   0.62750  1.0 1.0
   50    51    62    60  -0.30950 -1.0 2.0
   50    51    62    60   0.27300  1.0 3.0
   50    51    62    63   0.23400  1.0 3.0
   50    51    62    73   1.11900  1.0 1.0
   50    51    62    73  -1.16350 -1.0 2.0
   50    51    62    73  -0.34150  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    72    61   3.62500 -1.0 2.0
   51    53    72    74   3.62500 -1.0 2.0
   51    62    73    75  -0.25900  1.0 1.0
   51    62    73    75  -0.47000 -1.0 2.0
   51    62    73    75   0.11750  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    72   0.00000  1.0 1.0
   52    51    62    60   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    73   0.23400  1.0 3.0
   53    51    62    60  -0.03700  1.0 1.0
   53    51    62    60   0.37200 -1.0 2.0
   53    51    62    60  -0.47300  1.0 3.0
   53    51    62    63   0.43200  1.0 3.0
   53    51    62    73  -0.64350  1.0 1.0
   53    51    62    73  -0.04200 -1.0 2.0
   53    51    62    73   0.19800  1.0 3.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54   -57    60   1.63200 -1.0 2.0
   53    72    74    77   0.01300  1.0 1.0
   53    72    74    77   0.97950 -1.0 2.0
   53    72    74    77  -0.55700  1.0 3.0
   54    53    72    61   3.62500 -1.0 2.0
   54    53    72    74   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55   -58    61   3.62500 -1.0 2.0
   54    57    60    62  -0.32850  1.0 1.0
   54    57    60    62  -0.35800 -1.0 2.0
   54    57    60    62   0.33950  1.0 3.0
   54    57    60    64  -0.32850  1.0 1.0
   54    57    60    64  -0.35800 -1.0 2.0
   54    57    60    64   0.33950  1.0 3.0
   54    57    60    68  -0.32850  1.0 1.0
   54    57    60    68  -0.35800 -1.0 2.0
   54    57    60    68   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   55    58    61    72   3.62500 -1.0 2.0
   55    58    61    85   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    61   -72    53   3.62500 -1.0 2.0
   58    61    72    74   3.62500 -1.0 2.0
   58    61    85    83   0.15800  1.0 1.0
   58    61    85    83   1.85350 -1.0 2.0
   58    61    85    83  -0.48700  1.0 3.0
   58    61    85    86   0.56550  1.0 3.0
   59    58    61    72   3.62500 -1.0 2.0
   59    58    61    85   3.62500 -1.0 2.0
   61    72    74    77   0.01300  1.0 1.0
   61    72    74    77   0.97950 -1.0 2.0
   61    72    74    77  -0.55700  1.0 3.0
   72    53   -54    55   3.62500 -1.0 2.0
   72    53    54    57   3.62500 -1.0 2.0
   72    61    85    83   0.15800  1.0 1.0
   72    61    85    83   1.85350 -1.0 2.0
   72    61    85    83  -0.48700  1.0 3.0
   72    61    85    86   0.56550  1.0 3.0
   72    74    77    78   3.00000 -1.0 2.0
   72    74   -77    83   2.00000 -1.0 2.0
   74    77    83    84   1.63100 -1.0 2.0
   74    77    83    85  -0.56150  1.0 1.0
   74    77    83    85   2.19150 -1.0 2.0
   77    83   -85    61   7.00000 -1.0 2.0
   77    83    85    86   7.00000 -1.0 2.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   1.00000 -1.0 2.0
   84    83    85    61   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    61    72    53   3.62500 -1.0 2.0
   85    61   -72    74   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60   -62    51   0.62750  1.0 1.0
   57    60   -62    51  -0.30950 -1.0 2.0
   57    60   -62    51   0.27300  1.0 3.0
   57    60    62    63   0.23400  1.0 3.0
   57    60    62    73   1.11900  1.0 1.0
   57    60    62    73  -1.16350 -1.0 2.0
   57    60    62    73  -0.34150  1.0 3.0
   57    60    64    65   0.23400  1.0 3.0
   57    60    64    66   0.23400  1.0 3.0
   57    60    64    67   0.23400  1.0 3.0
   57    60    68    69   0.23400  1.0 3.0
   57    60    68    70   0.23400  1.0 3.0
   57    60    68    71   0.23400  1.0 3.0
   60    62    73    75  -0.25900  1.0 1.0
   60    62    73    75  -0.47000 -1.0 2.0
   60    62    73    75   0.11750  1.0 3.0
   62    51   -53    54   0.04150 -1.0 2.0
   62    51    53    72   0.04150 -1.0 2.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    71   0.15000  1.0 3.0
   62    73    75    76   3.00000 -1.0 2.0
   62    73    75    79   1.63150  1.0 1.0
   62    73    75    79   2.92000 -1.0 2.0
   63    62    73    75   0.08050  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   64    60    62    51   0.56750  1.0 1.0
   64    60    62    51  -0.07550 -1.0 2.0
   64    60    62    51   0.20000  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    73   0.62750  1.0 1.0
   64    60    62    73  -0.30950 -1.0 2.0
   64    60    62    73   0.27300  1.0 3.0
   64    60    68    69   0.15000  1.0 3.0
   64    60    68    70   0.15000  1.0 3.0
   64    60    68    71   0.15000  1.0 3.0
   68    60    62    51   0.56750  1.0 1.0
   68    60    62    51  -0.07550 -1.0 2.0
   68    60    62    51   0.20000  1.0 3.0
   68    60    62    63   0.15000  1.0 3.0
   68    60    62    73   0.62750  1.0 1.0
   68    60    62    73  -0.30950 -1.0 2.0
   68    60    62    73   0.27300  1.0 3.0
   68    60    64    65   0.15000  1.0 3.0
   68    60    64    66   0.15000  1.0 3.0
   68    60    64    67   0.15000  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   42    50    44    45  10.50000 -1.0 2.0
   54    72    53    51   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   61    59    58    55   1.10000 -1.0 2.0
   72    85    61    58   4.00000 -1.0 2.0
   61    74    72    53   4.00000 -1.0 2.0
   74    83    77    78  10.50000 -1.0 2.0
   77    84    83    85   1.10000 -1.0 2.0
   61    86    85    83   1.10000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
END
