* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    237     443
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053   105.95892   -25.39633
    3     1 S   H    _H1_     3     1.02077    62.80453    77.76330
    4     1 S   H    _H2_     4     1.02149    49.52806  -126.57822
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.85234    97.17746  -178.12873
   34    33 S   HC   _H3_    37     1.09764   106.23672   -32.70963
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C16    38     1.55061   106.44462    79.99290
   39    38 S   HC   _H36    39     1.09772   109.75544   -64.22958
   40    38 S   CT   _C12    40     1.52445   112.17472   175.41303
   41    40 S   HC   _H29    41     1.09654   109.81251  -178.06953
   42    40 S   HC   _H30    42     1.09624   110.23198    63.63715
   43    38 S   OH   _O19    77     1.42786   112.32938    54.66215
   44    43 S   HO   _H44    78     0.96932   106.37817  -176.32448
   45    40 S   CT   _C11    43     1.52276   110.52851   -58.33811
   46    45 S   HC   _H27    44     1.09642   109.49449  -178.61196
   47    45 S   HC   _H28    45     1.09589   109.62600   -62.60731
   48    45 S   CT   _C15    46     1.52962   109.97449    61.01049
   49    48 S   HC   _H35    47     1.10059   105.84384    69.78755
   50    33 S   CT   _C18    48     1.56755   114.64711  -151.30213
   51    48 S   NT   _N18    60     1.48452   110.94249  -170.10556
   52    50 S   CA   _C7_    49     1.55822   115.22588    78.08246
   53    51 S   CT   _C14    61     1.47663   105.26112    82.42947
   54    53 S   HC   _H33    62     1.09655   109.00706   -91.97396
   55    53 S   HC   _H34    63     1.09603   113.24311   150.25382
   56    52 S   CA   _C5_    50     1.40198   124.44636   -18.87452
   57    56 S   HA   _H24    51     1.08327   121.70767     2.62085
   58    50 S   CT   _C13    64     1.54814   114.30014   -47.04026
   59    58 S   HC   _H31    65     1.09645   112.40607    93.79991
   60    58 S   HC   _H32    66     1.09344   112.33919   -27.49945
   61    56 S   CA   _C9_    52     1.39908   121.10286  -177.97783
   62    61 S   CA   _C8_    53     1.38989   120.51858    -0.57743
   63    61 S   OS   _O21    72     1.36388   119.17957   179.68348
   64    62 S   CA   _C4_    54     1.39120   119.62577    -0.71873
   65    64 S   HA   _H23    55     1.08714   119.78182  -178.39819
   66    62 S   OS   _O20    67     1.36110   120.80771  -179.86438
   67    63 S   CT   _C20    73     1.42572   116.98642    89.77075
   68    67 S   HC   _H41    74     1.09286   109.46880   179.98022
   69    67 S   HC   _H42    75     1.09278   109.50917    59.26572
   70    67 S   HC   _H43    76     1.09226   108.97640   -60.41517
   71    52 S   CA   _C6_    56     1.41790   117.84657   161.39125
   72    66 S   CT   _C19    68     1.42739   117.03460   -89.93774
   73    72 S   HC   _H38    69     1.09225   109.51048  -180.00000
   74    72 S   HC   _H39    70     1.09223   109.53472    59.14830
   75    72 S   HC   _H40    71     1.09225   108.93795   -60.48937
   76    71 S   CT   _C10    57     1.51441   120.38252    -5.69023
   77    76 S   HC   _H25    58     1.09733   110.10682   131.69581
   78    76 S   HC   _H26    59     1.09835   107.67529  -112.79028
  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
  20   8   2   1   1  13   7  11   6   5   3   1  10   5   4  15
   6  14  12  15   9   5   4  10   4   4   1   1  11  11   6   7
   3   5   3   2   1   1   3   3   2   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    52    58    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    50    52    56    71    51    53    58    59    60    43    44  
   38    39    40    48    50    52    58    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    50    52    58    43    44  
   40    41    42    45    50    43    44  
   41    42    45    46    47    48    49    50    51    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    50  
    0  
   46    47    48    49    50    52    76    51    53    58  
   47    48    49    50    51  
   48    49    50    51  
   49    50    52    56    71    76    77    78    51    53    54    55    58    59    60  
   50    52    76    51    53    58  
   52    56    57    61    64    71    76    51    53    54    55    58    59    60  
   53    54    55    58    59    60    52    64    71    76    77    78  
   56    57    61    62    64    65    71    76    77    78    53    58    59    60    63  
   54    55    58    59    60    71    76    77    78  
   55    58    59    60    76  
   58    59    60    76  
   57    61    62    64    71    76    58    66    63    67  
   61    62    71    63  
   59    60    71    76  
   60  
    0  
   62    64    65    71    66    72    63    67    68    69    70  
   64    65    71    76    66    72    73    74    75    63    67  
   67    68    69    70    64    66  
   65    71    76    77    78    66    72  
   71    76    66  
   72    73    74    75    71  
   68    69    70  
   69    70  
   70  
    0  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78  
   78  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   382.000  1.448
   50    52   317.000  1.510
   50    58   268.000  1.529
   52    56   469.000  1.400
   52    71   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    51   382.000  1.448
   51    53   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    44   553.000  0.945
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    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    52    70.00000  112.17500
   33    50    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    56.20000  109.47000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    52    70.00000  112.17500
   48    50    58    58.35000  112.70000
   48    51    76    51.80000  107.20000
   48    51    53    51.80000  107.20000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    56    70.00000  120.00000
   50    52    71    70.00000  120.00000
   50    58    53    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   52    56    57    35.00000  120.00000
   52    56    61    63.00000  120.00000
   52    71    64    63.00000  120.00000
   52    71    76    70.00000  120.00000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    67    75.00000  111.00000
   62    64    65    35.00000  120.00000
   62    64    71    63.00000  120.00000
   62    66    72    75.00000  111.00000
   64    71    76    70.00000  120.00000
   71    52    56    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    51    75.00000  112.33000
   76    51    53    51.80000  107.20000
   78    76    77    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    56.20000  109.47000
   51    76    77    35.00000  109.50000
   51    76    78    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    58    56.20000  109.47000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   55    53    54    33.00000  107.80000
   58    50    52    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   66    62    64    70.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    61    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   29    33    50    58   0.44750  1.0 1.0
   29    33    50    58  -0.17800 -1.0 2.0
   29    33    50    58   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    50    52    56   0.04150 -1.0 2.0
   33    50    52    71   0.04150 -1.0 2.0
   33    50    58    53   0.56750  1.0 1.0
   33    50    58    53  -0.07550 -1.0 2.0
   33    50    58    53   0.20000  1.0 3.0
   33    50    58    59   0.15000  1.0 3.0
   33    50    58    60   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   0.23400  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    52   0.43200  1.0 3.0
   34    33    50    58   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    52  -0.03700  1.0 1.0
   38    33    50    52   0.37200 -1.0 2.0
   38    33    50    52  -0.47300  1.0 3.0
   38    33    50    58   0.56750  1.0 1.0
   38    33    50    58  -0.07550 -1.0 2.0
   38    33    50    58   0.20000  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.56750  1.0 1.0
   40    45    48    50  -0.07550 -1.0 2.0
   40    45    48    50   0.20000  1.0 3.0
   40    45    48    51   1.53400  1.0 1.0
   40    45    48    51  -0.09950 -1.0 2.0
   40    45    48    51   0.05700  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    52  -0.03700  1.0 1.0
   45    48    50    52   0.37200 -1.0 2.0
   45    48    50    52  -0.47300  1.0 3.0
   45    48    50    58   0.56750  1.0 1.0
   45    48    50    58  -0.07550 -1.0 2.0
   45    48    50    58   0.20000  1.0 3.0
   45    48    51    76   0.23450  1.0 1.0
   45    48    51    76   0.02050 -1.0 2.0
   45    48    51    76   0.25250  1.0 3.0
   45    48    51    53   0.23450  1.0 1.0
   45    48    51    53   0.02050 -1.0 2.0
   45    48    51    53   0.25250  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    50    52    56   0.04150 -1.0 2.0
   48    50    52    71   0.04150 -1.0 2.0
   48    50   -58    53   0.56750  1.0 1.0
   48    50   -58    53  -0.07550 -1.0 2.0
   48    50   -58    53   0.20000  1.0 3.0
   48    50    58    59   0.15000  1.0 3.0
   48    50    58    60   0.15000  1.0 3.0
   48    51    53    54   0.28000  1.0 3.0
   48    51    53    55   0.28000  1.0 3.0
   48    51   -53    58   0.23450  1.0 1.0
   48    51   -53    58   0.02050 -1.0 2.0
   48    51   -53    58   0.25250  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    58   0.15000  1.0 3.0
   49    48    51    76   0.28000  1.0 3.0
   49    48    51    53   0.28000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    43   0.86500  1.0 1.0
   50    33    38    43  -0.17500 -1.0 2.0
   50    33    38    43   0.20800  1.0 3.0
   50    48    51    76   0.23450  1.0 1.0
   50    48    51    76   0.02050 -1.0 2.0
   50    48    51    76   0.25250  1.0 3.0
   50    48   -51    53   0.23450  1.0 1.0
   50    48   -51    53   0.02050 -1.0 2.0
   50    48   -51    53   0.25250  1.0 3.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    61   3.62500 -1.0 2.0
   50    52    71    64   3.62500 -1.0 2.0
   50    52   -71    76   3.62500 -1.0 2.0
   52    50    58    53  -0.03700  1.0 1.0
   52    50    58    53   0.37200 -1.0 2.0
   52    50    58    53  -0.47300  1.0 3.0
   52    50    58    59   0.43200  1.0 3.0
   52    50    58    60   0.43200  1.0 3.0
   52    56    61    62   3.62500 -1.0 2.0
   52    56    61    63   3.62500 -1.0 2.0
   52    71    76    77   0.00000  1.0 1.0
   52    71    76    78   0.00000  1.0 1.0
   52    71    76    51   0.18550 -1.0 2.0
   52    71    76    51   0.14000  1.0 3.0
   56    52    71    64   3.62500 -1.0 2.0
   56    52    71    76   3.62500 -1.0 2.0
   56    61   -62    64   3.62500 -1.0 2.0
   56    61    62    66   3.62500 -1.0 2.0
   56    61    63    67   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    71   3.62500 -1.0 2.0
   61    62    66    72   1.63200 -1.0 2.0
   61    63    67    68   0.08050  1.0 3.0
   61    63    67    69   0.08050  1.0 3.0
   61    63    67    70   0.08050  1.0 3.0
   62    61    63    67   1.63200 -1.0 2.0
   62    64   -71    52   3.62500 -1.0 2.0
   62    64    71    76   3.62500 -1.0 2.0
   62    66    72    73   0.08050  1.0 3.0
   62    66    72    74   0.08050  1.0 3.0
   62    66    72    75   0.08050  1.0 3.0
   64    62    66    72   1.63200 -1.0 2.0
   64    71    76    77   0.00000  1.0 1.0
   64    71    76    78   0.00000  1.0 1.0
   64    71    76    51   0.18550 -1.0 2.0
   64    71    76    51   0.14000  1.0 3.0
   65    64    71    52   3.62500 -1.0 2.0
   65    64    71    76   3.62500 -1.0 2.0
   71    52    56    57   3.62500 -1.0 2.0
   71    52   -56    61   3.62500 -1.0 2.0
   71    76   -51    48   0.82600  1.0 1.0
   71    76   -51    48  -0.32100 -1.0 2.0
   71    76   -51    48   1.02000  1.0 3.0
   71    76    51    53   0.82600  1.0 1.0
   71    76    51    53  -0.32100 -1.0 2.0
   71    76    51    53   1.02000  1.0 3.0
   76    51    53    54   0.28000  1.0 3.0
   76    51    53    55   0.28000  1.0 3.0
   76    51    53    58   0.23450  1.0 1.0
   76    51    53    58   0.02050 -1.0 2.0
   76    51    53    58   0.25250  1.0 3.0
   77    76    51    48   0.28000  1.0 3.0
   77    76    51    53   0.28000  1.0 3.0
   78    76    51    48   0.28000  1.0 3.0
   78    76    51    53   0.28000  1.0 3.0
   51    48    50    33   1.53400  1.0 1.0
   51    48    50    33  -0.09950 -1.0 2.0
   51    48    50    33   0.05700  1.0 3.0
   51    48   -50    52   0.83750  1.0 1.0
   51    48   -50    52   0.32200 -1.0 2.0
   51    48   -50    52   0.70600  1.0 3.0
   51    48   -50    58   1.53400  1.0 1.0
   51    48   -50    58  -0.09950 -1.0 2.0
   51    48   -50    58   0.05700  1.0 3.0
   51    53   -58    50   1.53400  1.0 1.0
   51    53   -58    50  -0.09950 -1.0 2.0
   51    53   -58    50   0.05700  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   54    53    58    50   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   55    53    58    50   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   58    50    52    56   0.04150 -1.0 2.0
   58    50    52    71   0.04150 -1.0 2.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    71   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  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
   56    71    52    50   4.00000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   64    66    62    61   4.00000 -1.0 2.0
   71    65    64    62   1.10000 -1.0 2.0
   64    76    71    52   4.00000 -1.0 2.0
END
