* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    139    216     419
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080    67.65982   -99.98321
    3     1 S   H    _H1_     3     1.02079   104.77189     4.50067
    4     1 S   H    _H2_     4     1.02106    45.19178   106.36044
    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     1.08610   110.54789    58.81774
   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   _C10    36     1.83978    97.73075   -78.15541
   34    33 S   HC   _H3_    37     1.10344   106.13453    38.01646
   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   _C7_    38     1.53834   109.67962   -80.01349
   39    38 S   HC   _H25    39     1.10723   112.34858    11.52769
   40    38 S   OS   _O19    40     1.42728   113.56473  -113.26205
   41    38 S   C    _C4_    76     1.49589   110.88264   132.25471
   42    41 S   O    _O17    77     1.22170   125.00442   116.63794
   43    40 S   CT   _C11    41     1.42682   112.37522    49.03884
   44    43 S   HC   _H29    42     1.10128   108.90887    51.08961
   45    41 S   OH   _O20    78     1.35492   110.63195   -63.26052
   46    45 S   HO   _H42    79     0.98159   111.83346   179.88465
   47    43 S   CT   _C9_    43     1.53957   110.06070   -69.84789
   48    47 S   HC   _H27    44     1.10629   108.59230   -91.87293
   49    43 S   CT   _C14    63     1.52470   107.81810   168.29280
   50    49 S   HC   _H35    64     1.09560   108.55058  -179.04920
   51    33 S   CT   _C8_    45     1.53968   109.81351   155.66192
   52    51 S   HC   _H26    46     1.09960   109.88897   -45.56533
   53    47 S   N    _N15    55     1.44730   109.89158   152.89357
   54    53 S   H    _H40    56     1.01455   118.48046   -33.01079
   55    49 S   CT   _C15    65     1.53370   112.83019   -57.00255
   56    55 S   HC   _H36    66     1.09737   110.47087    60.05703
   57    49 S   OH   _O22    74     1.42481   107.81453    65.33892
   58    57 S   HO   _H44    75     0.96990   106.53466   180.00000
   59    51 S   NE   _N16    47     1.45728   108.20160  -162.70378
   60    59 S   H    _H41    48     1.01292   115.21363   -91.29029
   61    53 S   C    _C5_    57     1.38174   123.04538   147.02262
   62    61 S   O    _O18    58     1.22544   126.50174    -0.00000
   63    55 S   CT   _C13    67     1.52695   114.32149  -175.38667
   64    63 S   HC   _H33    68     1.09268   111.69839    60.05217
   65    63 S   HC   _H34    69     1.09523   111.45932   -62.83129
   66    55 S   OH   _O23    72     1.43166   108.08004   -56.14963
   67    66 S   HO   _H45    73     0.96870   106.15081   176.36773
   68    59 S   CDX  _C6_    49     1.37370   126.62781    88.66340
   69    61 S   CT   _C12    59     1.49310   113.93508   179.93744
   70    69 S   HC   _H30    60     1.10177   112.44879    90.04108
   71    69 S   HC   _H31    61     1.10237   112.39920  -151.34136
   72    69 S   HC   _H32    62     1.10119   115.33599   -30.68926
   73    63 S   OH   _O21    70     1.42496   108.77590   178.72007
   74    73 S   HO   _H43    71     0.96965   106.60822  -180.00000
   75    68 S   NI   _N13    50     1.30709   120.94057    -0.05595
   76    75 S   H    _H37    51     1.02642   108.54972  -179.97202
   77    68 S   NE   _N14    52     1.37290   117.30856   179.98022
   78    77 S   H    _H38    53     1.01408   122.30160  -179.95577
   79    77 S   H    _H39    54     1.01426   121.01654    -0.03426
  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
  16   8   2   1   1  13   6  13   5   2  17   8   1   1  15   7
  13   6   9   4   8   3  10   7   3   1   7   3   5   4   6   4
   3   2   1   5   3   2   1   1   1   1   4   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    51    52    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    51    52    59    60    68    53    41    42    45  
   38    39    40    47    51    52    59    41  
   36    37  
   37  
    0  
   39    40    43    44    47    51    52    59    49    41    42    45    46  
   40    43    51    41    42    45  
   43    44    47    48    51    53    49    50    55    57    41    42    45  
   42    45    46    43    51  
   45    46  
   44    47    48    51    52    59    53    54    61    49    50    55    56    63    66    57    58  
   47    48    51    53    49    50    55    57  
   46  
    0  
   48    51    52    59    60    68    53    54    61    62    69    49    50    55    57  
   51    52    59    53    54    61    49  
   50    55    56    63    64    65    73    66    67    57    58    51    53  
   55    56    63    66    57    58  
   52    59    60    68    75    77    53    54    61  
   59    60    68    53  
   54    61    62    69    70    71    72    59  
   61    62    69  
   56    63    64    65    73    74    66    67    57    58  
   63    64    65    73    66    67    57  
   58    63    66  
    0  
   60    68    75    76    77    78    79  
   68    75    77  
   62    69    70    71    72  
   69    70    71    72  
   64    65    73    74    66    67  
   65    73    74    66  
   73    74    66  
   67    73  
    0  
   75    76    77    78    79  
   70    71    72  
   71    72  
   72  
    0  
   74  
    0  
   76    77    78    79  
   77  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.177500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.019000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.399000   2.1120   1.8750   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   76   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   268.000  1.529
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    53   337.000  1.449
   51    52   340.000  1.090
   51    59   382.000  1.448
   59    60   434.000  1.010
   59    68   445.000  1.380
   68    75   650.000  1.285
   68    77   445.000  1.380
   75    76   434.000  1.010
   77    78   434.000  1.010
   77    79   434.000  1.010
   53    54   434.000  1.010
   53    61   490.000  1.335
   61    62   570.000  1.229
   61    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   320.000  1.410
   73    74   553.000  0.945
   66    67   553.000  0.945
   57    58   553.000  0.945
   41    42   570.000  1.229
   41    45   450.000  1.364
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    63.00000  111.10000
   33    51    47    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    59    80.00000  111.61500
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  109.50000
   38    41    42    80.00000  120.40000
   38    41    45    70.00000  108.00000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    47    50.00000  109.50000
   40    43    49    50.00000  109.50000
   43    47    48    37.50000  110.70000
   43    47    51    58.35000  112.70000
   43    47    53    70.00000  110.72300
   43    49    50    37.50000  110.70000
   43    49    55    58.35000  112.70000
   43    49    57    50.00000  109.50000
   47    43    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    59    80.00000  111.61500
   47    53    54    38.00000  118.40000
   47    53    61    50.00000  121.90000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    59    60    35.00000  112.50000
   51    59    68    50.00000  119.50000
   59    51    52    35.00000  109.50000
   59    68    75    75.00000  124.36500
   59    68    77    85.00000  116.27000
   68    59    60    35.00000  119.50000
   68    75    76    55.00000  110.29700
   68    77    78    35.00000  119.50000
   68    77    79    35.00000  119.50000
   77    68    75    75.00000  124.36500
   79    77    78    35.00000  109.00000
   53    47    48    35.00000  109.50000
   53    47    51    70.00000  110.72300
   53    61    62    80.00000  122.90000
   53    61    69    70.00000  116.60000
   61    53    54    35.00000  119.80000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    35.00000  109.50000
   69    61    62    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    47    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    63    58.35000  112.70000
   49    55    66    50.00000  109.50000
   49    57    58    55.00000  108.50000
   55    49    50    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    73    50.00000  109.50000
   55    66    67    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    73    74    55.00000  108.50000
   65    63    64    33.00000  107.80000
   73    63    64    35.00000  109.50000
   73    63    65    35.00000  109.50000
   66    55    56    35.00000  109.50000
   66    55    63    50.00000  109.50000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  108.55600
   41    45    46    35.00000  113.00000
   45    41    42   100.00000  123.32000
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  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    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    59   0.56750  1.0 1.0
   29    33    51    59  -0.07550 -1.0 2.0
   29    33    51    59   0.20000  1.0 3.0
   33    38    40    43   0.06250  1.0 1.0
   33    38    40    43  -0.01100 -1.0 2.0
   33    38    40    43   0.28050  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.50000  1.0 1.0
   33    38    41    45   0.27300 -1.0 2.0
   33    38    41    45   0.22500  1.0 3.0
   33    51    59    60   0.00000  1.0 1.0
   33    51    59    68   0.38950  1.0 1.0
   33    51    59    68  -0.47050 -1.0 2.0
   33    51    59    68   0.83150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    51    47   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    59   0.22950  1.0 3.0
   38    33    51    47   0.56750  1.0 1.0
   38    33    51    47  -0.07550 -1.0 2.0
   38    33    51    47   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    59   0.86200  1.0 1.0
   38    33    51    59   0.12850 -1.0 2.0
   38    33    51    59   0.15950  1.0 3.0
   38    40    43    44   0.37050  1.0 3.0
   38    40   -43    47   0.06250  1.0 1.0
   38    40   -43    47  -0.01100 -1.0 2.0
   38    40   -43    47   0.28050  1.0 3.0
   38    40    43    49   0.06250  1.0 1.0
   38    40    43    49  -0.01100 -1.0 2.0
   38    40    43    49   0.28050  1.0 3.0
   38    41    45    46   1.50000  1.0 1.0
   38    41    45    46   2.45000 -1.0 2.0
   39    38    40    43   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    45   0.40000  1.0 3.0
   40    43    47    48   0.23400  1.0 3.0
   40    43    47    51   0.62750  1.0 1.0
   40    43    47    51  -0.30950 -1.0 2.0
   40    43    47    51   0.27300  1.0 3.0
   40    43    47    53   1.12100  1.0 1.0
   40    43    47    53  -0.16500 -1.0 2.0
   40    43    49    50   0.23400  1.0 3.0
   40    43    49    55   0.62750  1.0 1.0
   40    43    49    55  -0.30950 -1.0 2.0
   40    43    49    55   0.27300  1.0 3.0
   40    43    49    57   3.69350  1.0 1.0
   40    43    49    57  -1.82950 -1.0 2.0
   43    47   -51    33   0.56750  1.0 1.0
   43    47   -51    33  -0.07550 -1.0 2.0
   43    47   -51    33   0.20000  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    59   0.86200  1.0 1.0
   43    47    51    59   0.12850 -1.0 2.0
   43    47    51    59   0.15950  1.0 3.0
   43    47    53    54   0.00000  1.0 1.0
   43    47    53    61  -0.43950  1.0 1.0
   43    47    53    61  -0.08100 -1.0 2.0
   43    47    53    61   0.03350  1.0 3.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    63   0.56750  1.0 1.0
   43    49    55    63  -0.07550 -1.0 2.0
   43    49    55    63   0.20000  1.0 3.0
   43    49    55    66   0.86500  1.0 1.0
   43    49    55    66  -0.17500 -1.0 2.0
   43    49    55    66   0.20800  1.0 3.0
   43    49    57    58  -0.11600  1.0 1.0
   43    49    57    58  -0.09450 -1.0 2.0
   43    49    57    58   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.15000  1.0 3.0
   44    43    49    57   0.23400  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    55   0.56750  1.0 1.0
   47    43    49    55  -0.07550 -1.0 2.0
   47    43    49    55   0.20000  1.0 3.0
   47    43    49    57   0.86500  1.0 1.0
   47    43    49    57  -0.17500 -1.0 2.0
   47    43    49    57   0.20800  1.0 3.0
   47    51    59    60   0.00000  1.0 1.0
   47    51    59    68   0.38950  1.0 1.0
   47    51    59    68  -0.47050 -1.0 2.0
   47    51    59    68   0.83150  1.0 3.0
   47    53    61    62   3.04450 -1.0 2.0
   47    53    61    69   1.49850  1.0 1.0
   47    53    61    69   1.53950 -1.0 2.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    59   0.22950  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    61   0.00000  1.0 1.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.62750  1.0 1.0
   51    33   -38    40  -0.30950 -1.0 2.0
   51    33   -38    40   0.27300  1.0 3.0
   51    33    38    41  -0.95700  1.0 1.0
   51    33    38    41  -0.18200 -1.0 2.0
   51    33    38    41   0.29450  1.0 3.0
   51    47    53    54   0.00000  1.0 1.0
   51    47    53    61  -0.43950  1.0 1.0
   51    47    53    61  -0.08100 -1.0 2.0
   51    47    53    61   0.03350  1.0 3.0
   51    59    68    75  -0.86000  1.0 1.0
   51    59    68    75   0.84650 -1.0 2.0
   51    59    68    77   1.17450  1.0 1.0
   51    59    68    77   0.83550 -1.0 2.0
   52    51    59    60   0.00000  1.0 1.0
   52    51    59    68   0.00000  1.0 1.0
   59    68    75    76  -1.91600  1.0 1.0
   59    68    75    76   8.35800 -1.0 2.0
   59    68    77    78   1.00000 -1.0 2.0
   59    68    77    79   1.00000 -1.0 2.0
   60    59    68    75   1.50000 -1.0 2.0
   60    59    68    77   1.00000 -1.0 2.0
   75    68    77    78   1.50000 -1.0 2.0
   75    68    77    79   1.50000 -1.0 2.0
   77    68    75    76  -1.91600  1.0 1.0
   77    68    75    76   8.35800 -1.0 2.0
   53    47    51    33  -0.27100  1.0 1.0
   53    47    51    33  -0.01700 -1.0 2.0
   53    47    51    33  -0.48600  1.0 3.0
   53    47    51    52   0.15000  1.0 3.0
   53    47    51    59   2.20050  1.0 1.0
   53    47    51    59   0.63450 -1.0 2.0
   53    47    51    59  -0.91300  1.0 3.0
   53    61    69    70   0.00000  1.0 1.0
   53    61    69    71   0.00000  1.0 1.0
   53    61    69    72   0.00000  1.0 1.0
   54    53    61    62   2.45000 -1.0 2.0
   54    53    61    69   2.45000 -1.0 2.0
   62    61    69    70   0.00000  1.0 1.0
   62    61    69    71   0.00000  1.0 1.0
   62    61    69    72   0.00000  1.0 1.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    51   0.56750  1.0 1.0
   49    43    47    51  -0.07550 -1.0 2.0
   49    43    47    51   0.20000  1.0 3.0
   49    43    47    53   0.43900  1.0 1.0
   49    43    47    53   0.49100 -1.0 2.0
   49    43    47    53   0.28400  1.0 3.0
   49    55    63    64   0.15000  1.0 3.0
   49    55    63    65   0.15000  1.0 3.0
   49    55    63    73   0.86500  1.0 1.0
   49    55    63    73  -0.17500 -1.0 2.0
   49    55    63    73   0.20800  1.0 3.0
   49    55    66    67  -0.11600  1.0 1.0
   49    55    66    67  -0.09450 -1.0 2.0
   49    55    66    67   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    63   0.15000  1.0 3.0
   50    49    55    66   0.23400  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   55    49    57    58  -0.11600  1.0 1.0
   55    49    57    58  -0.09450 -1.0 2.0
   55    49    57    58   0.21250  1.0 3.0
   55    63    73    74  -0.11600  1.0 1.0
   55    63    73    74  -0.09450 -1.0 2.0
   55    63    73    74   0.21250  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    73   0.23400  1.0 3.0
   56    55    66    67   0.19450  1.0 3.0
   63    55    66    67  -0.11600  1.0 1.0
   63    55    66    67  -0.09450 -1.0 2.0
   63    55    66    67   0.21250  1.0 3.0
   64    63    73    74   0.19450  1.0 3.0
   65    63    73    74   0.19450  1.0 3.0
   66    55    63    64   0.23400  1.0 3.0
   66    55    63    65   0.23400  1.0 3.0
   66    55    63    73   3.75450  1.0 1.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    63   0.86500  1.0 1.0
   57    49    55    63  -0.17500 -1.0 2.0
   57    49    55    63   0.20800  1.0 3.0
   57    49    55    66   3.75450  1.0 1.0
   41    38    40    43  -1.11000  1.0 1.0
   41    38    40    43   0.50250 -1.0 2.0
   41    38    40    43   0.47450  1.0 3.0
   42    41    45    46   0.92200  1.0 1.0
   42    41    45    46   3.74100 -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
   60    68    59    51   1.00000 -1.0 2.0
   59    77    68    75  10.50000 -1.0 2.0
   79    68    77    78   1.00000 -1.0 2.0
   54    61    53    47   1.00000 -1.0 2.0
   53    69    61    62  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
