* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    146    241     430
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064   104.57116   -33.99281
    3     1 S   H    _H1_     3     1.02039    68.18539    70.64653
    4     1 S   H    _H2_     4     1.02130    44.74876  -135.96963
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.67486    58.63995
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.88521    95.92522  -158.14460
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C8_    37     1.53697   108.10077   179.96574
   38    33 S   CO4  _C12    67     1.54711   102.87538    58.61191
   39    38 S   O    _O34    68     1.23136   122.56079    55.47719
   40    37 S   CA   _C7_    38     1.41571   118.82207    86.05946
   41    40 S   CA   _C6_    39     1.40647   120.17756  -178.08031
   42    41 S   HA   _H8_    40     1.08665   119.76258   179.78150
   43    40 S   CO   _C21    51     1.51023   121.87154     2.12080
   44    43 S   HC   _H3_    52     1.09638   107.51603   132.13849
   45    41 S   CA   _C5_    41     1.39032   120.77888    -0.04846
   46    43 S   NE   _N4_    53     1.45294   114.59689    10.82897
   47    45 S   CA   _C10    42     1.38883   119.55304     0.15577
   48    47 S   HA   _H9_    43     1.09004   119.93805   179.14728
   49    45 S   CT   _C4_    47     1.49067   120.26215   179.67857
   50    49 S   HC   _H5_    48     1.09680   110.44911    90.01394
   51    49 S   HC   _H6_    49     1.09832   111.37533  -149.48995
   52    49 S   HC   _H7_    50     1.09840   111.27945   -30.54404
   53    33 S   CM   _C20    54     1.53256   107.54900   -61.55903
   54    46 S   CT1  _C23    71     1.46222   107.60071  -142.13019
   55    54 S   HC   _H4_    72     1.11899   110.53826   131.77033
   56    37 S   CA   _C9_    44     1.40523   123.31675   -91.59110
   57    53 S   CM   _C19    55     1.34890   122.71208   117.54969
   58    54 S   CO4  _C22    73     1.51365   102.59984    17.24700
   59    58 S   O    _O36    74     1.22188   125.53940   171.63524
   60    54 S   CT   _C24    76     1.51869   112.60780  -100.37424
   61    60 S   HC   _H14    77     1.08828   109.79993    53.61648
   62    60 S   HC   _H15    78     1.08877   109.76739   -66.37457
   63    60 S   HC   _H16    79     1.08918   109.73488   173.60202
   64    56 S   OH   _O33    45     1.36655   122.59718     1.89021
   65    64 S   HO   _H10    46     0.96856   109.96820   176.48632
   66    57 S   CA   _C18    56     1.46620   122.44682    -1.90444
   67    57 S   OH   _O37    69     1.38041   122.37134   173.16795
   68    67 S   HO   _H17    70     0.96423   110.17692     4.59286
   69    43 S   OS   _O35    75     1.42927   110.03114  -109.92373
   70    66 S   CA   _C13    57     1.39626   120.70373     0.68614
   71    70 S   CA   _C14    58     1.40406   120.62518   178.93229
   72    71 S   HA   _H11    59     1.09228   120.61724   178.76188
   73    71 S   CA   _C15    60     1.39298   120.33579     0.03426
   74    73 S   HA   _H12    61     1.08544   120.00562   179.42973
   75    73 S   CA   _C16    62     1.38810   119.74221     0.15702
   76    75 S   HA   _H13    63     1.08573   119.72606   179.77015
   77    66 S   CA   _C17    64     1.40749   121.14329   179.79633
   78    77 S   OH   _O38    65     1.36798   122.06382     2.03327
   79    78 S   HO   _H18    66     0.96919   110.04770   179.02462
  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
  17   2   1   1  18  12   4  14  13   4  12   5   8  13   8   3
   4   2   1   1  12   9   7   2   8   6   2   4   2   1   1   1
   1  11   3   1   1   7   6   3   5   3   4   2   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    46    53    57    70    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    56    64    43    46    53    57    66    70    71    38    39    67    54  
   35    36  
   36  
    0  
   40    41    42    45    47    48    56    64    65    43    44    46    53    57    70    38    39    69  
   39    40    46    53    56    57    66    70    71    72    73    77  
   53    66    70    71  
   41    42    45    47    56    64    49    43    44    46    53    54    58    69  
   42    45    47    48    56    49    50    51    52    43    44    46    69  
   45    47    49    43  
   44    46    53    57    54    55    58    59    69    60    45    56  
   46    53    54    58    69  
   47    48    56    64    49    50    51    52  
   53    57    66    67    54    55    58    59    69    60    61    62    63  
   48    56    64    65    49    50    51    52  
   56    64    49  
   50    51    52    56  
   51    52  
   52  
    0  
   57    66    70    77    67    68    54    55    58    69    60    56  
   55    58    59    69    60    61    62    63    57  
   58    59    69    60    61    62    63  
   64    65  
   66    70    71    75    77    78    67    68  
   59    69    60    61    62    63  
   69    60  
   61    62    63    69  
   62    63  
   63  
    0  
   65  
    0  
   70    71    72    73    75    76    77    78    79    67    68  
   68    70    77  
    0  
    0  
   71    72    73    74    75    77    78  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -0.263000   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   69   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    56   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    56   469.000  1.400
   56    64   450.000  1.364
   64    65   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   320.000  1.442
   43    69   320.000  1.380
   46    53   425.000  1.378
   46    54   382.000  1.448
   53    57   549.000  1.340
   57    66   320.000  1.460
   57    67   510.000  1.338
   66    70   469.000  1.400
   66    77   469.000  1.400
   70    71   469.000  1.400
   70    38   310.000  1.470
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   38    39   570.000  1.229
   67    68   553.000  0.945
   54    55   340.000  1.090
   54    58   255.000  1.522
   54    60   268.000  1.529
   58    59   570.000  1.229
   58    69   214.000  1.327
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    80.00000  109.48900
   29    33    53    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    56    70.00000  120.00000
   33    53    46    75.00000  116.24600
   33    53    57    70.00000  124.00000
   33    38    70    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    56    47    63.00000  120.00000
   37    56    64    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  111.80000
   40    43    69    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    56    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    56    64    70.00000  120.00000
   56    37    40    63.00000  120.00000
   56    47    48    35.00000  120.00000
   56    64    65    35.00000  113.00000
   49    45    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   43    40    41    60.00000  120.68000
   43    46    53    50.00000  121.00000
   43    46    54    50.00000  115.00000
   43    69    58    95.00000  111.08000
   46    43    44    50.00000  108.16000
   46    53    57    70.00000  124.03900
   46    54    55    35.00000  109.50000
   46    54    58    80.00000  111.64100
   46    54    60    80.00000  111.61500
   53    33    37    70.00000  112.99600
   53    57    66    60.00000  123.20500
   53    57    67    80.00000  121.38400
   57    66    70    60.00000  120.93500
   57    66    77    60.00000  120.93500
   57    67    68    70.00000  107.45700
   66    70    71    63.00000  120.00000
   66    70    38    60.00000  119.52600
   66    77    75    63.00000  120.00000
   66    77    78    70.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    38    39    75.00000  123.78400
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    66    70    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    70.00000  109.06800
   38    70    71    60.00000  119.52600
   67    57    66    85.00000  114.86500
   54    46    53    50.00000  121.00000
   54    58    59    75.00000  123.42600
   54    58    69    90.00000  109.72300
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    54    55    45.00000  110.09800
   69    43    44    35.00000  109.50000
   69    43    46    95.00000  112.71300
   69    58    59    83.00000  123.40000
   60    54    55    37.50000  110.70000
   60    54    58    70.00000  110.61500
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    56  -0.16000  1.0 1.0
   29    33    37    56  -0.03200 -1.0 2.0
   29    33    37    56   0.04500  1.0 3.0
   29    33    53    46   0.09700  1.0 1.0
   29    33    53    46   0.15600 -1.0 2.0
   29    33    53    46  -0.50800  1.0 3.0
   29    33    53    57   0.42700  1.0 1.0
   29    33    53    57  -0.70350 -1.0 2.0
   29    33    53    57  -0.43150  1.0 3.0
   29    33    38    70   0.65300  1.0 1.0
   29    33    38    70  -0.03850 -1.0 2.0
   29    33    38    70   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    56    47   3.62500 -1.0 2.0
   33    37    56    64   3.62500 -1.0 2.0
   33    53    57    66   7.00000 -1.0 2.0
   33    53    57    67   7.00000 -1.0 2.0
   37    33    53    46  -0.22650  1.0 1.0
   37    33    53    46   0.16900 -1.0 2.0
   37    33    53    46   1.14250  1.0 3.0
   37    33    53    57   1.44450  1.0 1.0
   37    33    53    57   0.06600 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    38    70   0.65300  1.0 1.0
   37    33    38    70  -0.03850 -1.0 2.0
   37    33    38    70   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46  -0.06000  1.0 1.0
   37    40   -43    46   0.30500 -1.0 2.0
   37    40   -43    46   0.09200  1.0 3.0
   37    40    43    69   0.64500  1.0 1.0
   37    40    43    69   0.14800 -1.0 2.0
   37    40    43    69   0.20650  1.0 3.0
   37    56    64    65   0.84100 -1.0 2.0
   40    37    56    47   3.62500 -1.0 2.0
   40    37    56    64   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53  -0.12500  1.0 1.0
   40    43    46    53  -0.12500 -1.0 2.0
   40    43    46    53   0.25000  1.0 3.0
   40    43    46    54   0.00000  1.0 1.0
   40    43    69    58  -0.43900 -1.0 2.0
   40    43    69    58   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46  -0.06000  1.0 1.0
   41    40    43    46   0.30500 -1.0 2.0
   41    40    43    46   0.09200  1.0 3.0
   41    40    43    69   0.64500  1.0 1.0
   41    40    43    69   0.14800 -1.0 2.0
   41    40    43    69   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    56   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -56    37   3.62500 -1.0 2.0
   45    47    56    64   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    56    64    65   0.84100 -1.0 2.0
   48    47    56    37   3.62500 -1.0 2.0
   48    47    56    64   3.62500 -1.0 2.0
   56    37   -40    41   3.62500 -1.0 2.0
   56    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    56   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   1.00000 -1.0 2.0
   43    46    53    57  -0.54700  1.0 1.0
   43    46    53    57   1.23000 -1.0 2.0
   43    46    54    55   0.00000  1.0 1.0
   43    46   -54    58   0.00000  1.0 1.0
   43    46    54    60   0.00000  1.0 1.0
   44    43    46    53   0.00000  1.0 1.0
   44    43    46    54   0.00000  1.0 1.0
   44    43    69    58   0.08050  1.0 3.0
   46    43   -69    58  -0.24150  1.0 1.0
   46    43   -69    58  -0.46200 -1.0 2.0
   46    43   -69    58   0.11700  1.0 3.0
   46    53    57    66   7.00000 -1.0 2.0
   46    53    57    67   7.00000 -1.0 2.0
   46    54    58    59   0.00000  1.0 1.0
   46    54   -58    69   0.40000  1.0 3.0
   46    54    60    61   0.22950  1.0 3.0
   46    54    60    62   0.22950  1.0 3.0
   46    54    60    63   0.22950  1.0 3.0
   53    33   -37    40   0.18050 -1.0 2.0
   53    33    37    56   0.18050 -1.0 2.0
   53    33    38    70   0.65300  1.0 1.0
   53    33    38    70  -0.03850 -1.0 2.0
   53    33    38    70   0.33900  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    54    55   0.00000  1.0 1.0
   53    46    54    58  -0.12500  1.0 1.0
   53    46    54    58  -0.12500 -1.0 2.0
   53    46    54    58   0.25000  1.0 3.0
   53    46    54    60   0.25450  1.0 1.0
   53    46    54    60  -0.61700 -1.0 2.0
   53    46    54    60  -0.23550  1.0 3.0
   53    57   -66    70   0.15800  1.0 1.0
   53    57   -66    70   1.85350 -1.0 2.0
   53    57   -66    70  -0.48700  1.0 3.0
   53    57    66    77   0.15800  1.0 1.0
   53    57    66    77   1.85350 -1.0 2.0
   53    57    66    77  -0.48700  1.0 3.0
   53    57    67    68  -0.66100  1.0 1.0
   53    57    67    68   1.20850 -1.0 2.0
   53    57    67    68  -0.36000  1.0 3.0
   57    66    70    71   3.62500 -1.0 2.0
   57    66    70    38   3.62500 -1.0 2.0
   57    66    77    75   3.62500 -1.0 2.0
   57    66    77    78   3.62500 -1.0 2.0
   66    57    67    68   2.00000 -1.0 2.0
   66    70    71    72   3.62500 -1.0 2.0
   66    70    71    73   3.62500 -1.0 2.0
   66    70   -38    33   2.26350  1.0 1.0
   66    70   -38    33   0.76750 -1.0 2.0
   66    70   -38    33   0.22500  1.0 3.0
   66    70    38    39   1.05000 -1.0 2.0
   66    77    78    79   0.84100 -1.0 2.0
   70    66    77    75   3.62500 -1.0 2.0
   70    66    77    78   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71   -73    75   3.62500 -1.0 2.0
   71    70    38    33   2.26350  1.0 1.0
   71    70    38    33   0.76750 -1.0 2.0
   71    70    38    33   0.22500  1.0 3.0
   71    70    38    39   1.05000 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    66   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    66   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    66   -70    71   3.62500 -1.0 2.0
   77    66    70    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    56   0.04300 -1.0 2.0
   38    33    53    46   0.09700  1.0 1.0
   38    33    53    46   0.15600 -1.0 2.0
   38    33    53    46  -0.50800  1.0 3.0
   38    33   -53    57  -0.51250  1.0 1.0
   38    33   -53    57  -0.88800 -1.0 2.0
   38    33   -53    57   0.08850  1.0 3.0
   38    70    71    72   3.62500 -1.0 2.0
   38    70    71    73   3.62500 -1.0 2.0
   67    57    66    70  -0.01750  1.0 1.0
   67    57    66    70  -0.32000 -1.0 2.0
   67    57    66    70   0.00600  1.0 3.0
   67    57    66    77  -0.01750  1.0 1.0
   67    57    66    77  -0.32000 -1.0 2.0
   67    57    66    77   0.00600  1.0 3.0
   54    46    53    33   1.00000 -1.0 2.0
   54    46    53    57  -0.54700  1.0 1.0
   54    46    53    57   1.23000 -1.0 2.0
   54    58   -69    43   1.63150  1.0 1.0
   54    58   -69    43   2.92000 -1.0 2.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    69   0.00000  1.0 1.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   58    54    60    61  -0.03800  1.0 3.0
   58    54    60    62  -0.03800  1.0 3.0
   58    54    60    63  -0.03800  1.0 3.0
   59    58    69    43   3.00000 -1.0 2.0
   69    43    46    53   0.75000  1.0 1.0
   69    43    46    53  -0.75000 -1.0 2.0
   69    43   -46    54   0.00000  1.0 1.0
   60    54    58    59   0.00000  1.0 1.0
   60    54    58    69   0.36750  1.0 3.0
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
   40    56    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   56    48    47    45   1.10000 -1.0 2.0
   47    64    56    37   4.00000 -1.0 2.0
   54    53    46    43   1.00000 -1.0 2.0
   33    46    53    57   1.10000 -1.0 2.0
   66    67    57    53   1.10000 -1.0 2.0
   70    77    66    57   4.00000 -1.0 2.0
   71    38    70    66   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    66   4.00000 -1.0 2.0
   33    70    38    39  10.50000 -1.0 2.0
   54    69    58    59  10.50000 -1.0 2.0
END
