* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    31.49792    89.33480   -20.49279
    2     1 S   H    _HN1     2     1.03721   111.95410    95.84236
    3     1 S   H    _H1_     3     1.02732    30.11625     9.47424
    4     1 S   H    _H2_     4     1.03555   129.63215   -40.30297
    5     1 S   CT   _CA1     5     1.50474    82.70400  -153.29033
    6     5 S   HC   _HA1     6     1.09691   104.47827    74.28545
    7     5 S   CO3  _C1_     7     1.54199   111.73026   -41.40975
    8     7 S   O2Z  _O11     8     1.26083   116.78293  -121.69250
    9     7 S   O2Z  _O12     9     1.26648   113.96756    58.33714
   10     5 S   CT   _CB1    10     1.52880   106.56903  -170.20381
   11    10 S   HC   HB11    11     1.09474   108.57695   -46.28722
   12    10 S   HC   HB12    12     1.09768   110.01606    69.52456
   13    10 S   CT   _CG1    13     1.53241   114.19634  -167.09090
   14    13 S   HC   HG11    14     1.09486   111.39129   -84.82450
   15    13 S   HC   HG12    15     1.09592   110.74023    35.14649
   16    13 S   C    _CD1    16     1.51726   110.21943   154.19540
   17    16 S   O    _OE1    17     1.22850   121.83327  -115.84241
   18    16 S   N    _N2_    18     1.38466   113.09892    63.73628
   19    18 S   H    _HN2    19     1.01568   119.03834     3.08356
   20    18 S   CT1  _CA2    20     1.46018   122.42778  -165.99121
   21    20 S   HC   _HA2    21     1.09630   107.55051    38.69128
   22    20 S   C    _C2_    22     1.53116   110.67781   -78.12604
   23    22 S   O    _O2_    23     1.23115   121.25288   155.66023
   24    20 S   CT   _CB2    32     1.53793   112.14518   160.90846
   25    24 S   HC   HB21    33     1.09663   109.65479    75.85161
   26    24 S   HC   HB22    34     1.09573   110.58239  -167.39073
   27    22 S   N    _N3_    24     1.38260   114.34442   -32.16666
   28    27 S   H    _HN3    25     1.01644   119.37961     6.37664
   29    24 S   S    _SG2    35     1.82856   114.90822   -42.84821
   30    27 S   CT   _CA3    26     1.45259   122.87871  -176.37777
   31    30 S   HC   HA31    27     1.09560   107.57758   -60.92162
   32    30 S   HC   HA32    28     1.09566   107.83357    55.38771
   33    29 S   CT   _C7_    36     1.84272   100.81607   -70.36998
   34    33 S   HC   _H6_    37     1.09048   107.64221    28.16707
   35    30 S   CO3  _C3_    29     1.52864   114.35894   177.36909
   36    35 S   O2Z  _O31    30     1.26331   116.12825     1.08787
   37    35 S   O2Z  _O32    31     1.26456   114.38642  -178.88724
   38    33 S   CT   _C6_    38     1.54648   110.79816   -90.44022
   39    38 S   HC   _H5_    39     1.09533   110.78844    45.94981
   40    38 S   CT   _C5_    40     1.54611   111.94247   -74.49947
   41    40 S   HC   _H4_    41     1.09696   107.99103    65.95670
   42    38 S   OS   _O44    69     1.43306   109.70500   164.28705
   43    40 S   CT   _C4_    42     1.53611   113.35009   -52.96878
   44    43 S   HC   _H3_    43     1.09576   110.22610   177.30492
   45    40 S   OS   _O48    64     1.42850   109.68724  -176.19594
   46    42 S   P2   _P4_    70     1.63218   121.60948   -89.63508
   47    46 S   O2Z  _O47    71     1.51309   110.85424   -29.01322
   48    46 S   O2Z  _O45    72     1.51283   108.50163  -162.86763
   49    43 S   CT   _C9_    44     1.53506   109.27321    56.22512
   50    49 S   HC   _H8_    45     1.09658   107.77653    63.94322
   51    43 S   OH   _O52    62     1.42773   110.69674   -66.21442
   52    51 S   HO   _H10    63     0.97322   107.01237   159.01137
   53    45 S   P3   _P5_    65     1.64969   118.97751  -122.01716
   54    53 S   O2Z  _O50    66     1.52532   103.81860  -179.56659
   55    53 S   O2Z  _O51    67     1.52580   104.59057    60.59951
   56    53 S   O2Z  _O49    68     1.52553   104.60856   -59.82042
   57    46 S   OS   _O46    73     1.62839    99.86201    84.75869
   58    57 S   HO   _H9_    74     0.98604   117.90055    82.38318
   59    33 S   CT   _C8_    46     1.54745   109.30090   144.74398
   60    59 S   HC   _H7_    47     1.09441   110.72511   -47.10274
   61    49 S   OS   _O33    57     1.42897   109.33762  -178.22723
   62    59 S   OS   _O37    48     1.43140   108.70991  -164.38059
   63    61 S   P3   _P1_    58     1.64968   118.94744  -129.53354
   64    63 S   O2Z  _O35    59     1.52460   103.77045  -175.11172
   65    63 S   O2Z  _O36    60     1.52456   104.42276    65.06412
   66    63 S   O2Z  _O34    61     1.52618   104.87565   -55.45935
   67    62 S   P2   _P2_    49     1.63379   119.38647    96.99771
   68    67 S   O2Z  _O39    50     1.51199   108.81945   -58.12628
   69    67 S   O2Z  _O38    51     1.51497   108.54336    74.65632
   70    67 S   OS   _O40    52     1.62685    97.81906  -172.29103
   71    70 S   P3   _P3_    53     1.64059   130.90811   145.19093
   72    71 S   O2Z  _O42    54     1.52597   103.87889   170.36006
   73    71 S   O2Z  _O43    55     1.52491   104.77263    50.60101
   74    71 S   O2Z  _O41    56     1.52565   104.01171   -70.12847
  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  17   7  16   7   8  12   7   6   4   3   2
  12   6   3   1   3   2   1   1   1   1   8   3   5   5   3   2
   1   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    60    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    59    60    62    67    61    45    42    46  
   38    39    40    49    59    60    62    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    59    60    62    51    45    53    42    46    47    48    57  
   40    41    43    59    45    42    46  
   41    43    44    49    50    59    61    51    52    45    53    54    55    56    42    46  
   43    44    49    51    45    53    42  
   46    47    48    57    58    43    45    59  
   44    49    50    59    60    62    61    63    51    52    45    53  
   49    50    59    61    51    52    45  
   53    54    55    56    49    51  
   47    48    57    58  
   48    57    58  
   57    58  
   50    59    60    62    67    61    63    64    65    66    51    52  
   59    60    62    61    63    51  
   52    59    61  
    0  
   54    55    56  
   55    56  
   56  
    0  
   58  
    0  
   60    62    67    68    69    70    61    63  
   62    67    61  
   63    64    65    66    62  
   67    68    69    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    59   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    61   320.000  1.410
   59    60   340.000  1.090
   59    62   320.000  1.410
   62    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   61    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   51    52   553.000  0.945
   45    53   230.000  1.630
   53    54   525.000  1.516
   53    55   525.000  1.516
   53    56   525.000  1.516
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    57   230.000  1.697
   57    58   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    59    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    59    49    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    53    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    59    58.35000  112.70000
   43    49    61    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    62    50.00000  109.50000
   49    61    63    80.00000  112.68000
   59    33    34    37.50000  110.70000
   59    33    38    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    62    67   100.00000  120.50000
   62    59    60    35.00000  109.50000
   62    67    68   100.00000  108.23000
   62    67    69   100.00000  108.23000
   62    67    70    45.00000  102.60000
   67    70    71    45.00000  143.19000
   69    67    68   140.00000  119.90000
   70    67    68   100.00000  108.23000
   70    67    69   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   61    49    50    35.00000  109.50000
   61    49    59    50.00000  109.50000
   61    63    64   100.00000  107.00000
   61    63    65   100.00000  107.00000
   61    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    53    54   100.00000  107.00000
   45    53    55   100.00000  107.00000
   45    53    56   100.00000  107.00000
   55    53    54   140.00000  114.00000
   56    53    54   140.00000  114.00000
   56    53    55   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    57    45.00000  102.60000
   46    57    58    45.00000  108.50000
   48    46    47   140.00000  119.90000
   57    46    47   100.00000  108.23000
   57    46    48   100.00000  108.23000
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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    49   0.44750  1.0 1.0
   29    33    59    49  -0.17800 -1.0 2.0
   29    33    59    49   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    62   0.56750  1.0 1.0
   29    33    59    62  -0.07550 -1.0 2.0
   29    33    59    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    59    62    67  -2.65550  1.0 1.0
   33    59    62    67  -0.22350 -1.0 2.0
   33    59    62    67   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    59    49   0.15000  1.0 3.0
   34    33    59    60   0.15000  1.0 3.0
   34    33    59    62   0.23400  1.0 3.0
   38    33    59    49   0.56750  1.0 1.0
   38    33    59    49  -0.07550 -1.0 2.0
   38    33    59    49   0.20000  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    62   0.62750  1.0 1.0
   38    33    59    62  -0.30950 -1.0 2.0
   38    33    59    62   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    53  -2.65550  1.0 1.0
   38    40    45    53  -0.22350 -1.0 2.0
   38    40    45    53   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    57   0.05050  1.0 1.0
   38    42    46    57  -1.30700 -1.0 2.0
   38    42    46    57   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    59   0.56750  1.0 1.0
   40    43    49    59  -0.07550 -1.0 2.0
   40    43    49    59   0.20000  1.0 3.0
   40    43    49    61   0.62750  1.0 1.0
   40    43    49    61  -0.30950 -1.0 2.0
   40    43    49    61   0.27300  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   40    45    53    54   0.00000  1.0 1.0
   40    45    53    55   0.00000  1.0 1.0
   40    45    53    56   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    53   0.03000  1.0 3.0
   43    40    45    53  -2.65550  1.0 1.0
   43    40    45    53  -0.22350 -1.0 2.0
   43    40    45    53   0.24150  1.0 3.0
   43    49   -59    33   0.56750  1.0 1.0
   43    49   -59    33  -0.07550 -1.0 2.0
   43    49   -59    33   0.20000  1.0 3.0
   43    49    59    60   0.15000  1.0 3.0
   43    49    59    62   0.62750  1.0 1.0
   43    49    59    62  -0.30950 -1.0 2.0
   43    49    59    62   0.27300  1.0 3.0
   43    49    61    63  -2.65550  1.0 1.0
   43    49    61    63  -0.22350 -1.0 2.0
   43    49    61    63   0.24150  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.15000  1.0 3.0
   44    43    49    61   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    59    62    67  -2.65550  1.0 1.0
   49    59    62    67  -0.22350 -1.0 2.0
   49    59    62    67   0.24150  1.0 3.0
   49    61    63    64   0.00000  1.0 1.0
   49    61    63    65   0.00000  1.0 1.0
   49    61    63    66   0.00000  1.0 1.0
   50    49    59    33   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    62   0.23400  1.0 3.0
   50    49    61    63   0.03000  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33   -38    40   0.56750  1.0 1.0
   59    33   -38    40  -0.07550 -1.0 2.0
   59    33   -38    40   0.20000  1.0 3.0
   59    33    38    42   0.62750  1.0 1.0
   59    33    38    42  -0.30950 -1.0 2.0
   59    33    38    42   0.27300  1.0 3.0
   59    49    61    63  -2.65550  1.0 1.0
   59    49    61    63  -0.22350 -1.0 2.0
   59    49    61    63   0.24150  1.0 3.0
   59    62    67    68   0.00000  1.0 1.0
   59    62    67    69   0.00000  1.0 1.0
   59    62    67    70   0.05050  1.0 1.0
   59    62    67    70  -1.30700 -1.0 2.0
   59    62    67    70   0.91550  1.0 3.0
   60    59    62    67   0.03000  1.0 3.0
   62    67    70    71   0.15000  1.0 3.0
   67    70    71    72   0.50000  1.0 3.0
   67    70    71    73   0.50000  1.0 3.0
   67    70    71    74   0.50000  1.0 3.0
   68    67    70    71   0.50000  1.0 3.0
   69    67    70    71   0.50000  1.0 3.0
   61    49    59    33   0.62750  1.0 1.0
   61    49    59    33  -0.30950 -1.0 2.0
   61    49    59    33   0.27300  1.0 3.0
   61    49    59    60   0.23400  1.0 3.0
   61    49    59    62   1.11900  1.0 1.0
   61    49    59    62  -1.16350 -1.0 2.0
   61    49    59    62  -0.34150  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    59   0.86500  1.0 1.0
   51    43    49    59  -0.17500 -1.0 2.0
   51    43    49    59   0.20800  1.0 3.0
   51    43    49    61   3.69350  1.0 1.0
   51    43    49    61  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   3.69350  1.0 1.0
   45    40    43    51  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    57    58   0.00000  1.0 1.0
   47    46    57    58   0.00000  1.0 1.0
   48    46    57    58   0.00000  1.0 1.0
IPHI
    8     5     7     9  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
   36    30    35    37  10.50000 -1.0 2.0
END
