* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    147    229     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053   105.43724   -29.30689
    3     1 S   H    _H1_     3     1.02060    65.26145    74.51550
    4     1 S   H    _H2_     4     1.02154    47.33681  -130.64243
    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     1.84669    97.31877  -178.14312
   34    33 S   HC   _H3_    37     1.11215   104.28578   -32.81192
   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   _C13    38     1.53565   107.77163    79.97511
   39    38 S   HC   _H29    39     1.09703   111.00967   -49.63435
   40    38 S   HC   _H30    40     1.09591   110.52954  -167.74287
   41    38 S   CO4  _C10    41     1.51286   112.09156    72.21570
   42    41 S   O    _O19    42     1.23175   121.01524  -150.94124
   43    41 S   CT   _C12    43     1.51238   117.89732    29.23801
   44    43 S   HC   _H27    44     1.09620   107.49746   145.14098
   45    43 S   HC   _H28    45     1.09422   108.27134   -97.54449
   46    43 S   CT   _C16    46     1.52444   111.81905    24.59161
   47    46 S   HC   _H35    47     1.09963   107.85459  -177.20159
   48    33 S   CT   _C18    48     1.56847   116.34242  -152.53715
   49    46 S   OS   _O20    57     1.45334   107.09586    69.65053
   50    48 S   CR3  _C7_    49     1.50757   110.66440   156.88657
   51    48 S   CT   _C14    70     1.54943   116.18734    31.60715
   52    51 S   HC   _H31    71     1.09788   109.03994   -66.60655
   53    51 S   HC   _H32    72     1.10053   109.54066   179.48528
   54    50 S   CA   _C6_    50     1.39078   129.42329   -75.72544
   55    54 S   CA   _C4_    51     1.40744   117.64636   178.63743
   56    55 S   HA   _H23    52     1.08734   120.27313  -179.57479
   57    54 S   CT   _C11    63     1.50538   122.19231    -1.09002
   58    57 S   HC   _H25    64     1.09671   110.41156    66.00072
   59    57 S   HC   _H26    65     1.09847   107.10975   179.79442
   60    55 S   CA   _C5_    53     1.40305   121.26589     0.59017
   61    60 S   HA   _H24    54     1.08685   119.39207  -179.84174
   62    57 S   NT   _N18    66     1.47314   113.03054   -60.37079
   63    60 S   CA   _C9_    55     1.39114   120.31673     0.34943
   64    62 S   CT   _C15    67     1.47331   112.24408    81.39742
   65    64 S   HC   _H33    68     1.09914   108.11002   170.01781
   66    64 S   HC   _H34    69     1.09380   110.50172    54.72430
   67    62 S   CT   _C19    73     1.46906   109.48640  -157.20161
   68    67 S   HC   _H37    74     1.09306   110.03649  -179.96574
   69    67 S   HC   _H38    75     1.09262   110.21646    60.07003
   70    67 S   HC   _H39    76     1.09310   110.20914   -59.98907
   71    50 S   CA   _C8_    56     1.38914   110.31061   104.71721
   72    63 S   OS   _O21    58     1.35701   120.66676   179.50268
   73    72 S   CT   _C20    59     1.42871   117.24361     0.44057
   74    73 S   HC   _H40    60     1.09216   109.54867  -180.00000
   75    73 S   HC   _H41    61     1.09324   109.49478    59.20141
   76    73 S   HC   _H42    62     1.09235   109.02937   -60.34206
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  11   5   4   8   4   9   5   4  11   5  14
   7  15  10   5   4  12  10   4  12   4   3   5   3   7   6   6
   2   1   3   2   1   1   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    48    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    50    54    71    49    64    51    52    53  
   38    39    40    41    46    48    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    50    51  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    46    47    48    49  
   43    44    45    46  
   44    45    46    47    48    50    71    49    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    50    54    63    71    49    64    51    52    53  
   48    50    71    49    51  
   50    54    55    63    71    49    57    62    64    65    66    51    52    53  
   72    51    50    54    60    63    71  
   54    55    56    60    63    71    72    57    58    59    62    64    51    52    53  
   52    53    67    54    57    62    64    65    66    71  
   53    62    64    65    66  
   62    64    65    66  
   55    56    60    61    63    71    57    58    59    62    64    67  
   56    60    61    63    71    72    57    58    59    62  
   60    61    63    57  
   58    59    62    64    65    66    67    68    69    70    60    71  
   59    62    64    67  
   62    64    67  
   61    63    71    72    73  
   63    71    72  
   64    65    66    67    68    69    70  
   71    72    73    74    75    76  
   65    66    67    68    69    70  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    54   490.000  1.398
   50    71   490.000  1.398
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    71   469.000  1.400
   63    72   450.000  1.364
   71    49   450.000  1.364
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   382.000  1.448
   62    64   382.000  1.448
   62    67   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    48    46    58.35000  112.70000
   33    48    50    70.00000  112.17500
   33    48    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    49    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    50    70.00000  112.17500
   46    48    51    58.35000  112.70000
   46    49    71    75.00000  111.00000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    54    70.00000  120.00000
   48    50    71    70.00000  120.00000
   48    51    64    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   50    54    55    70.00000  112.88000
   50    54    57    80.00000  105.07000
   50    71    63    70.00000  112.88000
   50    71    49    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    75.00000  112.33000
   55    60    61    35.00000  120.00000
   55    60    63    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    63    71    63.00000  120.00000
   60    63    72    70.00000  120.00000
   63    60    61    35.00000  120.00000
   63    71    49    70.00000  120.00000
   63    72    73    75.00000  111.00000
   71    50    54    60.00000  130.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   72    63    71    70.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    62    64    51.80000  107.20000
   57    62    67    51.80000  107.20000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    51    56.20000  109.47000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   64    51    52    37.50000  110.70000
   64    51    53    37.50000  110.70000
   66    64    65    33.00000  107.80000
   51    48    50    70.00000  112.17500
   51    64    65    37.50000  110.70000
   51    64    66    37.50000  110.70000
   53    51    52    33.00000  107.80000
   67    62    64    51.80000  107.20000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    50   0.56750  1.0 1.0
   29    33    48    50  -0.07550 -1.0 2.0
   29    33    48    50   0.20000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    48    50    54   0.04150 -1.0 2.0
   33    48    50    71   0.04150 -1.0 2.0
   33    48    51    64   0.56750  1.0 1.0
   33    48    51    64  -0.07550 -1.0 2.0
   33    48    51    64   0.20000  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   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  -0.11250  1.0 3.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    50   0.43200  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33    48    46   0.56750  1.0 1.0
   38    33    48    46  -0.07550 -1.0 2.0
   38    33    48    46   0.20000  1.0 3.0
   38    33    48    50  -0.03700  1.0 1.0
   38    33    48    50   0.37200 -1.0 2.0
   38    33    48    50  -0.47300  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    49  -0.09450  1.0 1.0
   41    43    46    49  -1.12950 -1.0 2.0
   41    43    46    49   0.54000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -48    33   0.56750  1.0 1.0
   43    46   -48    33  -0.07550 -1.0 2.0
   43    46   -48    33   0.20000  1.0 3.0
   43    46    48    50  -0.03700  1.0 1.0
   43    46    48    50   0.37200 -1.0 2.0
   43    46    48    50  -0.47300  1.0 3.0
   43    46    48    51   0.56750  1.0 1.0
   43    46    48    51  -0.07550 -1.0 2.0
   43    46    48    51   0.20000  1.0 3.0
   43    46    49    71  -0.32850  1.0 1.0
   43    46    49    71  -0.35800 -1.0 2.0
   43    46    49    71   0.33950  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.23400  1.0 3.0
   46    48    50    54   0.04150 -1.0 2.0
   46    48   -50    71   0.04150 -1.0 2.0
   46    48    51    64   0.56750  1.0 1.0
   46    48    51    64  -0.07550 -1.0 2.0
   46    48    51    64   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    49    71   0.08050  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41  -0.95700  1.0 1.0
   48    33   -38    41  -0.18200 -1.0 2.0
   48    33   -38    41   0.29450  1.0 3.0
   48    46   -49    71  -0.32850  1.0 1.0
   48    46   -49    71  -0.35800 -1.0 2.0
   48    46   -49    71   0.33950  1.0 3.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    57   3.62500 -1.0 2.0
   48    50    71    63   3.62500 -1.0 2.0
   48    50   -71    49   3.62500 -1.0 2.0
   50    48    51    64  -0.03700  1.0 1.0
   50    48    51    64   0.37200 -1.0 2.0
   50    48    51    64  -0.47300  1.0 3.0
   50    48    51    52   0.43200  1.0 3.0
   50    48    51    53   0.43200  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    60   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    62   0.18550 -1.0 2.0
   50    54    57    62   0.14000  1.0 3.0
   50    71   -49    46   1.63200 -1.0 2.0
   54    50    71    63   3.62500 -1.0 2.0
   54    50    71    49   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55   -60    63   3.62500 -1.0 2.0
   54    57    62    64   0.82600  1.0 1.0
   54    57    62    64  -0.32100 -1.0 2.0
   54    57    62    64   1.02000  1.0 3.0
   54    57    62    67   0.82600  1.0 1.0
   54    57    62    67  -0.32100 -1.0 2.0
   54    57    62    67   1.02000  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62   0.18550 -1.0 2.0
   55    54    57    62   0.14000  1.0 3.0
   55    60    63    71   3.62500 -1.0 2.0
   55    60    63    72   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    63   3.62500 -1.0 2.0
   60    63   -71    50   3.62500 -1.0 2.0
   60    63    71    49   3.62500 -1.0 2.0
   60    63    72    73   1.63200 -1.0 2.0
   61    60    63    71   3.62500 -1.0 2.0
   61    60    63    72   3.62500 -1.0 2.0
   63    71    49    46   1.63200 -1.0 2.0
   63    72    73    74   0.08050  1.0 3.0
   63    72    73    75   0.08050  1.0 3.0
   63    72    73    76   0.08050  1.0 3.0
   71    50   -54    55   3.62500 -1.0 2.0
   71    50    54    57   3.62500 -1.0 2.0
   71    63    72    73   1.63200 -1.0 2.0
   49    46    48    33   0.62750  1.0 1.0
   49    46    48    33  -0.30950 -1.0 2.0
   49    46    48    33   0.27300  1.0 3.0
   49    46   -48    50  -0.64350  1.0 1.0
   49    46   -48    50  -0.04200 -1.0 2.0
   49    46   -48    50   0.19800  1.0 3.0
   49    46    48    51   0.62750  1.0 1.0
   49    46    48    51  -0.30950 -1.0 2.0
   49    46    48    51   0.27300  1.0 3.0
   72    63    71    50   3.62500 -1.0 2.0
   72    63    71    49   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   57    62    64    65   0.28000  1.0 3.0
   57    62    64    66   0.28000  1.0 3.0
   57    62    64    51   0.23450  1.0 1.0
   57    62    64    51   0.02050 -1.0 2.0
   57    62    64    51   0.25250  1.0 3.0
   57    62    67    68   0.28000  1.0 3.0
   57    62    67    69   0.28000  1.0 3.0
   57    62    67    70   0.28000  1.0 3.0
   58    57    62    64   0.28000  1.0 3.0
   58    57    62    67   0.28000  1.0 3.0
   59    57    62    64   0.28000  1.0 3.0
   59    57    62    67   0.28000  1.0 3.0
   62    64    51    48   1.53400  1.0 1.0
   62    64    51    48  -0.09950 -1.0 2.0
   62    64    51    48   0.05700  1.0 3.0
   62    64    51    52   0.15000  1.0 3.0
   62    64    51    53   0.15000  1.0 3.0
   64    62    67    68   0.28000  1.0 3.0
   64    62    67    69   0.28000  1.0 3.0
   64    62    67    70   0.28000  1.0 3.0
   65    64    51    48   0.15000  1.0 3.0
   65    64    51    52   0.15000  1.0 3.0
   65    64    51    53   0.15000  1.0 3.0
   66    64    51    48   0.15000  1.0 3.0
   66    64    51    52   0.15000  1.0 3.0
   66    64    51    53   0.15000  1.0 3.0
   51    48    50    54   0.04150 -1.0 2.0
   51    48    50    71   0.04150 -1.0 2.0
   67    62    64    65   0.28000  1.0 3.0
   67    62    64    66   0.28000  1.0 3.0
   67    62    64    51   0.23450  1.0 1.0
   67    62    64    51   0.02050 -1.0 2.0
   67    62    64    51   0.25250  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
   38    43    41    42  10.50000 -1.0 2.0
   54    71    50    48   4.00000 -1.0 2.0
   55    57    54    50   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   63    61    60    55   1.10000 -1.0 2.0
   71    72    63    60   4.00000 -1.0 2.0
   63    49    71    50   4.00000 -1.0 2.0
END
