* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    150    234     438
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02040   105.76118   -27.25098
    3     1 S   H    _H1_     3     1.02074    63.96460    76.19247
    4     1 S   H    _H2_     4     1.02071    48.49179  -128.48292
    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     1.08584   110.00631   179.17671
   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     1.86464    96.80735   161.86443
   34    33 S   HC   _H3_    37     1.09506   102.75586   -37.15351
   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     1.58092   112.56830    80.01930
   39    38 S   OM   _O19    39     1.32424   110.69458   -50.99295
   40    38 S   HC   _H36    40     1.09942   105.26780  -177.57408
   41    38 S   CT   _C12    41     1.55258   111.57530    69.87879
   42    41 S   HC   _H29    42     1.09908   111.44481   -66.47055
   43    41 S   HC   _H30    43     1.09886   110.25477   175.88696
   44    41 S   CT   _C11    44     1.53658   111.81552    55.39495
   45    44 S   HC   _H27    45     1.09431   108.33808    69.53844
   46    44 S   HC   _H28    46     1.09699   109.38603  -174.76988
   47    44 S   CT   _C15    47     1.53302   110.46636   -53.85213
   48    47 S   HC   _H35    48     1.10018   105.37139   -64.27625
   49    33 S   CT   _C18    49     1.57015   112.71311  -155.47857
   50    47 S   NT   _N18    61     1.47627   119.31266   177.26527
   51    49 S   CA   _C7_    50     1.55333   113.52894   166.41734
   52    50 S   CT   _C14    62     1.48707   103.23018  -172.03531
   53    52 S   HC   _H33    63     1.09642   108.62729   -92.76361
   54    52 S   HC   _H34    64     1.09580   113.11266   149.04049
   55    51 S   CA   _C5_    51     1.40266   123.29262   -32.32586
   56    55 S   HA   _H24    52     1.08579   121.11728     1.00347
   57    49 S   CT   _C13    65     1.54597   118.52928    42.89091
   58    57 S   HC   _H31    66     1.09660   113.07076    90.25294
   59    57 S   HC   _H32    67     1.09287   113.50263   -31.95316
   60    55 S   CA   _C9_    53     1.39691   120.85314  -178.63929
   61    60 S   CA   _C8_    54     1.39172   120.30481     0.89043
   62    60 S   OS   _O21    73     1.36325   119.30503  -179.34329
   63    61 S   CA   _C4_    55     1.39165   119.85177     0.66086
   64    63 S   HA   _H23    56     1.08710   119.85696   179.14453
   65    61 S   OS   _O20    68     1.36177   120.63622  -179.88131
   66    62 S   CT   _C20    74     1.42516   116.99611    90.20274
   67    66 S   HC   _H41    75     1.09301   109.49299  -179.97202
   68    66 S   HC   _H42    76     1.09312   109.55295    59.23372
   69    66 S   HC   _H43    77     1.09184   109.03377   -60.38786
   70    51 S   CA   _C6_    57     1.41383   118.32214   151.74576
   71    65 S   CT   _C19    69     1.42727   117.04313   179.95154
   72    71 S   HC   _H38    70     1.09230   109.47368   179.97202
   73    71 S   HC   _H39    71     1.09290   109.49510    59.19256
   74    71 S   HC   _H40    72     1.09276   108.93983   -60.40166
   75    70 S   CT   _C10    58     1.51073   119.97625    -1.26949
   76    75 S   HC   _H25    59     1.09840   109.57925   132.02661
   77    75 S   HC   _H26    60     1.09724   108.69568  -112.60522
  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
  19   8   2   1   1  12   6   5   9   5   4  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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    49    51    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    49    51    55    70    50    52    57    58    59  
   38    39    40    41    47    49    51    57  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    49    51    57  
   40    41    42    43    44    49  
   41    42    43    44    49  
   42    43    44    45    46    47    48    49    50  
   43    44    45    46    47  
   44    45    46    47  
   45    46    47    48    49    51    75    50    52    57  
   46    47    48    49    50  
   47    48    49    50  
   48    49    51    55    70    75    76    77    50    52    53    54    57    58    59  
   49    51    75    50    52    57  
   51    55    56    60    63    70    75    50    52    53    54    57    58    59  
   52    53    54    57    58    59    51    63    70    75    76    77  
   55    56    60    61    63    64    70    75    76    77    52    57    58    59    62  
   53    54    57    58    59    70    75    76    77  
   54    57    58    59    75  
   57    58    59    75  
   56    60    61    63    70    75    57    65    62    66  
   60    61    70    62  
   58    59    70    75  
   59  
    0  
   61    63    64    70    65    71    62    66    67    68    69  
   63    64    70    75    65    71    72    73    74    62    66  
   66    67    68    69    63    65  
   64    70    75    76    77    65    71  
   70    75    65  
   71    72    73    74    70  
   67    68    69  
   68    69  
   69  
    0  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77  
   77  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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    49   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   382.000  1.448
   49    51   317.000  1.510
   49    57   268.000  1.529
   51    55   469.000  1.400
   51    70   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   469.000  1.400
   60    62   450.000  1.364
   61    63   469.000  1.400
   61    65   450.000  1.364
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    50   382.000  1.448
   50    52   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   65    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    49    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    47    58.35000  112.70000
   33    49    51    70.00000  112.17500
   33    49    57    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    50    56.20000  109.47000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    51    70.00000  112.17500
   47    49    57    58.35000  112.70000
   47    50    75    51.80000  107.20000
   47    50    52    51.80000  107.20000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    55    70.00000  120.00000
   49    51    70    70.00000  120.00000
   49    57    52    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   51    55    56    35.00000  120.00000
   51    55    60    63.00000  120.00000
   51    70    63    63.00000  120.00000
   51    70    75    70.00000  120.00000
   55    60    61    63.00000  120.00000
   55    60    62    70.00000  120.00000
   60    55    56    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    61    65    70.00000  120.00000
   60    62    66    75.00000  111.00000
   61    63    64    35.00000  120.00000
   61    63    70    63.00000  120.00000
   61    65    71    75.00000  111.00000
   63    70    75    70.00000  120.00000
   70    51    55    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    50    75.00000  112.33000
   75    50    52    51.80000  107.20000
   77    75    76    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    56.20000  109.47000
   50    75    76    35.00000  109.50000
   50    75    77    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    57    56.20000  109.47000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   54    52    53    33.00000  107.80000
   57    49    51    70.00000  112.17500
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    61    63    70.00000  120.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   62    60    61    70.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    51   0.56750  1.0 1.0
   29    33    49    51  -0.07550 -1.0 2.0
   29    33    49    51   0.20000  1.0 3.0
   29    33    49    57   0.44750  1.0 1.0
   29    33    49    57  -0.17800 -1.0 2.0
   29    33    49    57   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    49    51    55   0.04150 -1.0 2.0
   33    49    51    70   0.04150 -1.0 2.0
   33    49    57    52   0.56750  1.0 1.0
   33    49    57    52  -0.07550 -1.0 2.0
   33    49    57    52   0.20000  1.0 3.0
   33    49    57    58   0.15000  1.0 3.0
   33    49    57    59   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    47   0.15000  1.0 3.0
   34    33    49    51   0.43200  1.0 3.0
   34    33    49    57   0.15000  1.0 3.0
   38    33    49    47   0.56750  1.0 1.0
   38    33    49    47  -0.07550 -1.0 2.0
   38    33    49    47   0.20000  1.0 3.0
   38    33    49    51  -0.03700  1.0 1.0
   38    33    49    51   0.37200 -1.0 2.0
   38    33    49    51  -0.47300  1.0 3.0
   38    33    49    57   0.56750  1.0 1.0
   38    33    49    57  -0.07550 -1.0 2.0
   38    33    49    57   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41   -44    47   0.56750  1.0 1.0
   38    41   -44    47  -0.07550 -1.0 2.0
   38    41   -44    47   0.20000  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.62750  1.0 1.0
   39    38    41    44  -0.30950 -1.0 2.0
   39    38    41    44   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.56750  1.0 1.0
   41    44    47    49  -0.07550 -1.0 2.0
   41    44    47    49   0.20000  1.0 3.0
   41    44    47    50   1.53400  1.0 1.0
   41    44    47    50  -0.09950 -1.0 2.0
   41    44    47    50   0.05700  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    47   -49    33   0.56750  1.0 1.0
   44    47   -49    33  -0.07550 -1.0 2.0
   44    47   -49    33   0.20000  1.0 3.0
   44    47    49    51  -0.03700  1.0 1.0
   44    47    49    51   0.37200 -1.0 2.0
   44    47    49    51  -0.47300  1.0 3.0
   44    47    49    57   0.56750  1.0 1.0
   44    47    49    57  -0.07550 -1.0 2.0
   44    47    49    57   0.20000  1.0 3.0
   44    47    50    75   0.23450  1.0 1.0
   44    47    50    75   0.02050 -1.0 2.0
   44    47    50    75   0.25250  1.0 3.0
   44    47    50    52   0.23450  1.0 1.0
   44    47    50    52   0.02050 -1.0 2.0
   44    47    50    52   0.25250  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    49    51    55   0.04150 -1.0 2.0
   47    49    51    70   0.04150 -1.0 2.0
   47    49   -57    52   0.56750  1.0 1.0
   47    49   -57    52  -0.07550 -1.0 2.0
   47    49   -57    52   0.20000  1.0 3.0
   47    49    57    58   0.15000  1.0 3.0
   47    49    57    59   0.15000  1.0 3.0
   47    50    52    53   0.28000  1.0 3.0
   47    50    52    54   0.28000  1.0 3.0
   47    50   -52    57   0.23450  1.0 1.0
   47    50   -52    57   0.02050 -1.0 2.0
   47    50   -52    57   0.25250  1.0 3.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    47    49    57   0.15000  1.0 3.0
   48    47    50    75   0.28000  1.0 3.0
   48    47    50    52   0.28000  1.0 3.0
   49    33    38    39   0.62750  1.0 1.0
   49    33    38    39  -0.30950 -1.0 2.0
   49    33    38    39   0.27300  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    47    50    75   0.23450  1.0 1.0
   49    47    50    75   0.02050 -1.0 2.0
   49    47    50    75   0.25250  1.0 3.0
   49    47   -50    52   0.23450  1.0 1.0
   49    47   -50    52   0.02050 -1.0 2.0
   49    47   -50    52   0.25250  1.0 3.0
   49    51    55    56   3.62500 -1.0 2.0
   49    51    55    60   3.62500 -1.0 2.0
   49    51    70    63   3.62500 -1.0 2.0
   49    51   -70    75   3.62500 -1.0 2.0
   51    49    57    52  -0.03700  1.0 1.0
   51    49    57    52   0.37200 -1.0 2.0
   51    49    57    52  -0.47300  1.0 3.0
   51    49    57    58   0.43200  1.0 3.0
   51    49    57    59   0.43200  1.0 3.0
   51    55    60    61   3.62500 -1.0 2.0
   51    55    60    62   3.62500 -1.0 2.0
   51    70    75    76   0.00000  1.0 1.0
   51    70    75    77   0.00000  1.0 1.0
   51    70    75    50   0.18550 -1.0 2.0
   51    70    75    50   0.14000  1.0 3.0
   55    51    70    63   3.62500 -1.0 2.0
   55    51    70    75   3.62500 -1.0 2.0
   55    60   -61    63   3.62500 -1.0 2.0
   55    60    61    65   3.62500 -1.0 2.0
   55    60    62    66   1.63200 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    62   3.62500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    70   3.62500 -1.0 2.0
   60    61    65    71   1.63200 -1.0 2.0
   60    62    66    67   0.08050  1.0 3.0
   60    62    66    68   0.08050  1.0 3.0
   60    62    66    69   0.08050  1.0 3.0
   61    60    62    66   1.63200 -1.0 2.0
   61    63   -70    51   3.62500 -1.0 2.0
   61    63    70    75   3.62500 -1.0 2.0
   61    65    71    72   0.08050  1.0 3.0
   61    65    71    73   0.08050  1.0 3.0
   61    65    71    74   0.08050  1.0 3.0
   63    61    65    71   1.63200 -1.0 2.0
   63    70    75    76   0.00000  1.0 1.0
   63    70    75    77   0.00000  1.0 1.0
   63    70    75    50   0.18550 -1.0 2.0
   63    70    75    50   0.14000  1.0 3.0
   64    63    70    51   3.62500 -1.0 2.0
   64    63    70    75   3.62500 -1.0 2.0
   70    51    55    56   3.62500 -1.0 2.0
   70    51   -55    60   3.62500 -1.0 2.0
   70    75   -50    47   0.82600  1.0 1.0
   70    75   -50    47  -0.32100 -1.0 2.0
   70    75   -50    47   1.02000  1.0 3.0
   70    75    50    52   0.82600  1.0 1.0
   70    75    50    52  -0.32100 -1.0 2.0
   70    75    50    52   1.02000  1.0 3.0
   75    50    52    53   0.28000  1.0 3.0
   75    50    52    54   0.28000  1.0 3.0
   75    50    52    57   0.23450  1.0 1.0
   75    50    52    57   0.02050 -1.0 2.0
   75    50    52    57   0.25250  1.0 3.0
   76    75    50    47   0.28000  1.0 3.0
   76    75    50    52   0.28000  1.0 3.0
   77    75    50    47   0.28000  1.0 3.0
   77    75    50    52   0.28000  1.0 3.0
   50    47    49    33   1.53400  1.0 1.0
   50    47    49    33  -0.09950 -1.0 2.0
   50    47    49    33   0.05700  1.0 3.0
   50    47   -49    51   0.83750  1.0 1.0
   50    47   -49    51   0.32200 -1.0 2.0
   50    47   -49    51   0.70600  1.0 3.0
   50    47   -49    57   1.53400  1.0 1.0
   50    47   -49    57  -0.09950 -1.0 2.0
   50    47   -49    57   0.05700  1.0 3.0
   50    52   -57    49   1.53400  1.0 1.0
   50    52   -57    49  -0.09950 -1.0 2.0
   50    52   -57    49   0.05700  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   53    52    57    49   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   54    52    57    49   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   57    49    51    55   0.04150 -1.0 2.0
   57    49    51    70   0.04150 -1.0 2.0
   65    61    63    64   3.62500 -1.0 2.0
   65    61    63    70   3.62500 -1.0 2.0
   62    60    61    63   3.62500 -1.0 2.0
   62    60    61    65   3.62500 -1.0 2.0
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
   55    70    51    49   4.00000 -1.0 2.0
   60    56    55    51   1.10000 -1.0 2.0
   61    62    60    55   4.00000 -1.0 2.0
   63    65    61    60   4.00000 -1.0 2.0
   70    64    63    61   1.10000 -1.0 2.0
   63    75    70    51   4.00000 -1.0 2.0
END
