* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    166    266     497
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02060    36.14987  -162.07557
    3     1 S   H    _H1_     3     1.02078    98.80324   -52.35835
    4     1 S   H    _H2_     4     1.02038    79.91746    55.22276
    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     1.08612   109.94660   179.13182
   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   _C20    36     1.84898    97.34071  -158.14232
   34    33 S   HC   _H3_    37     1.09789   105.58863    45.10339
   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   CA   _C9_    38     1.52540   110.68708   159.96360
   39    33 S   CT   _C11    64     1.53317   109.09881   -67.60362
   40    39 S   HC   _H29    65     1.09428   111.57360   176.49552
   41    39 S   HC   _H30    66     1.09904   109.42490    60.71467
   42    38 S   CA   _C7_    39     1.41933   115.37587   -69.88023
   43    42 S   HA   _H28    40     1.08898   119.89360    -0.71189
   44    42 S   CA   _C5_    41     1.39025   122.25088   179.00574
   45    44 S   HA   _H26    42     1.08486   120.33366  -179.57067
   46    44 S   CA   _C4_    43     1.38243   119.23112     0.72362
   47    46 S   HA   _H25    44     1.08593   120.18825   179.41953
   48    46 S   CA   _C6_    45     1.39513   119.79984     0.46267
   49    48 S   HA   _H27    46     1.08533   116.14291   178.05791
   50    38 S   CA   _C8_    47     1.41873   126.07586   110.42263
   51    50 S   CT   _C19    48     1.52907   122.37776     4.91071
   52    51 S   HC   _H45    49     1.09746   104.51825    66.01866
   53    51 S   CT   _C14    50     1.54723   118.19056  -179.30790
   54    53 S   HC   _H35    51     1.09608   112.14363   -51.85622
   55    53 S   HC   _H36    52     1.10008   107.27080  -166.46352
   56    53 S   CT   _C15    53     1.53227   114.32284    75.01341
   57    56 S   HC   _H37    54     1.09792   108.14577   149.32399
   58    56 S   HC   _H38    55     1.09584   110.46305   -95.52340
   59    56 S   CT   _C21    56     1.53370   112.76263    26.52944
   60    59 S   HC   _H47    57     1.09856   108.10185   -88.18263
   61    59 S   CT   _C18    58     1.52759   110.40587    29.92174
   62    61 S   HC   _H43    59     1.09729   111.21666    59.20102
   63    61 S   HC   _H44    60     1.09690   110.52591   177.93171
   64    59 S   CT   _C22    67     1.53527   111.09935   154.00446
   65    64 S   HC   _H48    68     1.12495   106.24115   -59.98563
   66    51 S   N    _N21    61     1.47796   112.60463   -50.29505
   67    64 S   CT   _C16    69     1.53980   111.42700    57.27421
   68    67 S   HC   _H39    70     1.09997   109.86977   -47.44747
   69    67 S   HC   _H40    71     1.10007   109.90179  -164.24769
   70    66 S   C    _C10    62     1.39183   122.37299    79.20915
   71    70 S   O    _O23    63     1.23173   124.49253   164.43264
   72    67 S   CT   _C12    72     1.52624   112.72686    74.29400
   73    72 S   HC   _H31    73     1.09705   110.01242   -70.42680
   74    72 S   HC   _H32    74     1.09848   109.49152   172.34924
   75    72 S   CT   _C13    75     1.52343   110.68902    51.38491
   76    75 S   HC   _H33    76     1.09717   109.69554    69.57736
   77    75 S   HC   _H34    77     1.09908   109.51653  -173.49817
   78    75 S   CT   _C17    78     1.52890   111.41386   -52.09834
   79    78 S   HC   _H41    79     1.10938   109.17736   177.41480
   80    78 S   HC   _H42    80     1.10739   107.40597   -68.46059
   81    64 S   NT   _N22    81     1.47700   110.05920  -176.04413
   82    81 S   CT   _C23    82     1.46392   111.78091   157.53255
   83    82 S   HC   _H49    83     1.09330   110.10202   -52.53618
   84    82 S   HC   _H50    84     1.09294   110.18651  -172.53881
   85    82 S   HC   _H51    85     1.09300   110.20952    67.44640
  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   9   5   4   3
  14   7   2   1   1  16   9   4   3   8   4   6   3   5   3   6
   2   9  14   7  11   6   5  12   5   4  15   8   9   4   3  17
   7   2  11   6   5   1   1   9   5   4   7   5   4   7   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    50    70    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    48    50    51    66    70    71    39    40    41  
   38    42    50    70    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    48    49    50    51    52    53    66    70    39    40    41  
   40    41    42    50    51    61    66    70    71  
   41    66    70    71  
   66    70    71  
   43    44    45    46    47    48    50    51  
   44    45    46    50  
   45    46    47    48    49    50  
   46    47    48  
   47    48    49    50    51  
   48    49    50  
   49    50    51    52    53    66  
   50    51  
   51    52    53    54    55    56    61    66    70  
   52    53    54    55    56    57    58    59    61    62    63    66    70    71  
   53    54    55    56    61    66    70  
   54    55    56    57    58    59    60    61    66    70    64  
   55    56    57    58    59    66  
   56    57    58    59    66  
   57    58    59    60    61    62    63    66    64    65    67    81  
   58    59    60    61    64  
   59    60    61    64  
   60    61    62    63    66    70    64    65    67    68    69    72    78    81    82  
   61    62    63    66    64    65    67    81  
   62    63    66    70    71    64    65    67    81  
   63    66    70    64  
   66    70    64  
   65    67    68    69    72    73    74    75    78    79    80    81    82    83    84    85    66  
   67    68    69    72    78    81    82  
   70    71  
   68    69    72    73    74    75    76    77    78    81    82  
   69    72    73    74    75    81  
   72    73    74    75    81  
   71  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.125000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   82   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    50   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   317.000  1.510
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    66   337.000  1.449
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   337.000  1.449
   66    70   490.000  1.335
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    81   382.000  1.448
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   382.000  1.448
   81    82   382.000  1.448
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    50    70.00000  120.00000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    63.00000  120.00000
   38    50    48    63.00000  120.00000
   38    50    51    70.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  120.00000
   50    38    42    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    70.00000  112.17500
   50    51    66    75.00000  111.96400
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    66    61    50.00000  118.00000
   51    66    70    50.00000  121.90000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    66    70.00000  110.72300
   59    64    65    37.50000  110.70000
   59    64    67    58.35000  112.70000
   59    64    81    56.20000  109.47000
   61    59    60    37.50000  110.70000
   61    66    70    50.00000  121.90000
   63    61    62    33.00000  107.80000
   66    51    52    35.00000  109.50000
   66    51    53    70.00000  110.72300
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    70    71    80.00000  122.90000
   66    70    39    70.00000  116.60000
   70    39    40    35.00000  109.50000
   70    39    41    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    70    71    80.00000  120.40000
   41    39    40    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    72    58.35000  112.70000
   64    81    78    51.80000  107.20000
   64    81    82    51.80000  107.20000
   67    64    65    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    56.20000  109.47000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    51.80000  107.20000
   80    78    79    33.00000  107.80000
   81    64    65    35.00000  109.50000
   81    64    67    56.20000  109.47000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    50  -0.16000  1.0 1.0
   29    33    38    50  -0.03200 -1.0 2.0
   29    33    38    50   0.04500  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    44   3.62500 -1.0 2.0
   33    38    50    48   3.62500 -1.0 2.0
   33    38    50    51   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    50   0.00000  1.0 1.0
   34    33    39    70  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    70   0.56750  1.0 1.0
   38    33    39    70  -0.07550 -1.0 2.0
   38    33    39    70   0.20000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    46   3.62500 -1.0 2.0
   38    50    51    52   0.00000  1.0 1.0
   38    50    51    53   0.04150 -1.0 2.0
   38    50    51    66  -0.24500  1.0 1.0
   38    50    51    66   0.48300 -1.0 2.0
   38    50    51    66   0.08900  1.0 3.0
   42    38    50    48   3.62500 -1.0 2.0
   42    38    50    51   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44   -46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48   -50    38   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    50    51    52   0.00000  1.0 1.0
   48    50    51    53   0.04150 -1.0 2.0
   48    50    51    66  -0.24500  1.0 1.0
   48    50    51    66   0.48300 -1.0 2.0
   48    50    51    66   0.08900  1.0 3.0
   49    48    50    38   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   50    38    42    43   3.62500 -1.0 2.0
   50    38   -42    44   3.62500 -1.0 2.0
   50    51    53    54   0.43200  1.0 3.0
   50    51    53    55   0.43200  1.0 3.0
   50    51    53    56  -0.03700  1.0 1.0
   50    51    53    56   0.37200 -1.0 2.0
   50    51    53    56  -0.47300  1.0 3.0
   50    51    66    61   0.17850 -1.0 2.0
   50    51    66    70  -0.69800  1.0 1.0
   50    51    66    70  -0.21350 -1.0 2.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53    56    59   0.56750  1.0 1.0
   51    53    56    59  -0.07550 -1.0 2.0
   51    53    56    59   0.20000  1.0 3.0
   51    66    70    71   3.04450 -1.0 2.0
   51    66    70    39   1.49850  1.0 1.0
   51    66    70    39   1.53950 -1.0 2.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    66    61   0.00000  1.0 1.0
   52    51    66    70   0.00000  1.0 1.0
   53    51    66    61  -0.05900 -1.0 2.0
   53    51    66    70  -0.43950  1.0 1.0
   53    51    66    70  -0.08100 -1.0 2.0
   53    51    66    70   0.03350  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56   -59    61   0.56750  1.0 1.0
   53    56   -59    61  -0.07550 -1.0 2.0
   53    56   -59    61   0.20000  1.0 3.0
   53    56    59    64   0.56750  1.0 1.0
   53    56    59    64  -0.07550 -1.0 2.0
   53    56    59    64   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    66   0.43900  1.0 1.0
   56    59    61    66   0.49100 -1.0 2.0
   56    59    61    66   0.28400  1.0 3.0
   56    59    64    65   0.15000  1.0 3.0
   56    59    64    67   0.56750  1.0 1.0
   56    59    64    67  -0.07550 -1.0 2.0
   56    59    64    67   0.20000  1.0 3.0
   56    59    64    81   1.53400  1.0 1.0
   56    59    64    81  -0.09950 -1.0 2.0
   56    59    64    81   0.05700  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    64   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    64   0.15000  1.0 3.0
   59    61   -66    51  -0.05900 -1.0 2.0
   59    61    66    70  -0.43950  1.0 1.0
   59    61    66    70  -0.08100 -1.0 2.0
   59    61    66    70   0.03350  1.0 3.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    72   0.56750  1.0 1.0
   59    64    67    72  -0.07550 -1.0 2.0
   59    64    67    72   0.20000  1.0 3.0
   59    64    81    78   0.23450  1.0 1.0
   59    64    81    78   0.02050 -1.0 2.0
   59    64    81    78   0.25250  1.0 3.0
   59    64    81    82   0.23450  1.0 1.0
   59    64    81    82   0.02050 -1.0 2.0
   59    64    81    82   0.25250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    64    81   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    67   0.56750  1.0 1.0
   61    59    64    67  -0.07550 -1.0 2.0
   61    59    64    67   0.20000  1.0 3.0
   61    59    64    81   1.53400  1.0 1.0
   61    59    64    81  -0.09950 -1.0 2.0
   61    59    64    81   0.05700  1.0 3.0
   61    66    70    71   3.04450 -1.0 2.0
   61    66    70    39   1.49850  1.0 1.0
   61    66    70    39   1.53950 -1.0 2.0
   62    61    66    51   0.00000  1.0 1.0
   62    61    66    70   0.00000  1.0 1.0
   63    61    66    51   0.00000  1.0 1.0
   63    61    66    70   0.00000  1.0 1.0
   66    51    53    54   0.15000  1.0 3.0
   66    51    53    55   0.15000  1.0 3.0
   66    51   -53    56   0.43900  1.0 1.0
   66    51   -53    56   0.49100 -1.0 2.0
   66    51   -53    56   0.28400  1.0 3.0
   66    70    39    33   1.39750  1.0 1.0
   66    70    39    33  -0.07950 -1.0 2.0
   66    70    39    33  -0.18750  1.0 3.0
   66    70    39    40   0.00000  1.0 1.0
   66    70    39    41   0.00000  1.0 1.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    41   0.00000  1.0 1.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    50   0.04150 -1.0 2.0
   64    59    61    62   0.15000  1.0 3.0
   64    59    61    63   0.15000  1.0 3.0
   64    59    61    66   0.43900  1.0 1.0
   64    59    61    66   0.49100 -1.0 2.0
   64    59    61    66   0.28400  1.0 3.0
   64    67    72    73   0.15000  1.0 3.0
   64    67    72    74   0.15000  1.0 3.0
   64    67    72    75   0.56750  1.0 1.0
   64    67    72    75  -0.07550 -1.0 2.0
   64    67    72    75   0.20000  1.0 3.0
   64    81    82    83   0.28000  1.0 3.0
   64    81    82    84   0.28000  1.0 3.0
   64    81    82    85   0.28000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    72   0.15000  1.0 3.0
   65    64    81    78   0.28000  1.0 3.0
   65    64    81    82   0.28000  1.0 3.0
   67    64    81    78   0.23450  1.0 1.0
   67    64    81    78   0.02050 -1.0 2.0
   67    64    81    78   0.25250  1.0 3.0
   67    64    81    82   0.58650  1.0 1.0
   67    64    81    82   0.12600 -1.0 2.0
   67    64    81    82   0.33350  1.0 3.0
   67    72    75    76   0.15000  1.0 3.0
   67    72    75    77   0.15000  1.0 3.0
   67    72   -75    78   0.56750  1.0 1.0
   67    72   -75    78  -0.07550 -1.0 2.0
   67    72   -75    78   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   1.53400  1.0 1.0
   72    75    78    81  -0.09950 -1.0 2.0
   72    75    78    81   0.05700  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78   -81    64   0.23450  1.0 1.0
   75    78   -81    64   0.02050 -1.0 2.0
   75    78   -81    64   0.25250  1.0 3.0
   75    78    81    82   0.58650  1.0 1.0
   75    78    81    82   0.12600 -1.0 2.0
   75    78    81    82   0.33350  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    82    83   0.28000  1.0 3.0
   78    81    82    84   0.28000  1.0 3.0
   78    81    82    85   0.28000  1.0 3.0
   79    78    81    64   0.28000  1.0 3.0
   79    78    81    82   0.28000  1.0 3.0
   80    78    81    64   0.28000  1.0 3.0
   80    78    81    82   0.28000  1.0 3.0
   81    64    67    68   0.15000  1.0 3.0
   81    64    67    69   0.15000  1.0 3.0
   81    64   -67    72   1.53400  1.0 1.0
   81    64   -67    72  -0.09950 -1.0 2.0
   81    64   -67    72   0.05700  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    50    38    33   4.00000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   48    51    50    38   4.00000 -1.0 2.0
   61    70    66    51   1.00000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
END
