* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    147    232     421
    1     0 S   NP   _N1_     1    28.98162    97.27197   -20.97216
    2     1 S   H    _HN1     2     1.02948    71.59946    23.91064
    3     1 S   H    _H1_     3     1.02827    48.31174   159.26379
    4     1 S   H    _H2_     4     1.02784    89.25524   -85.72581
    5     1 S   CT   _CA1     5     1.50093   155.38702   122.90786
    6     5 S   HC   _HA1     6     1.09581   105.19409    87.46480
    7     5 S   CO3  _C1_     7     1.53653   112.45709   -32.71021
    8     7 S   O2Z  _O11     8     1.26364   115.03891   -44.53784
    9     7 S   O2Z  _O12     9     1.26235   114.91525   134.55986
   10     5 S   CT   _CB1    10     1.53039   107.42925  -154.68648
   11    10 S   HC   HB11    11     1.09832   109.12914   -51.41482
   12    10 S   HC   HB12    12     1.09813   110.56069    65.11428
   13    10 S   CT   _CG1    13     1.52992   112.66093  -172.49360
   14    13 S   HC   HG11    14     1.09562   110.58832   -68.39133
   15    13 S   HC   HG12    15     1.09676   109.83259    50.83539
   16    13 S   C    _CD1    16     1.51788   112.14216   171.08443
   17    16 S   O    _OE1    17     1.22733   123.27847     6.61965
   18    16 S   N    _N2_    18     1.38587   111.68013  -173.18405
   19    18 S   H    _HN2    19     1.01595   118.92891    -0.12354
   20    18 S   CT1  _CA2    20     1.46214   123.35964   175.98453
   21    20 S   HC   _HA2    21     1.09732   109.47224    -2.28756
   22    20 S   C    _C2_    22     1.53487   108.26748  -117.65687
   23    22 S   O    _O2_    23     1.23037   122.37386  -147.19652
   24    20 S   CT   _CB2    32     1.53136   111.45257   119.99188
   25    24 S   HC   HB21    33     1.09433   109.85209    56.00450
   26    24 S   HC   HB22    34     1.09519   110.66366   174.10156
   27    22 S   N    _N3_    24     1.38363   113.55024    40.24093
   28    27 S   H    _HN3    25     1.01610   119.52615    -3.50554
   29    24 S   S    _SG2    35     1.82834   111.40579   -67.16901
   30    27 S   CT   _CA3    26     1.45278   123.19428   177.07263
   31    30 S   HC   HA31    27     1.09549   107.53415   -63.89032
   32    30 S   HC   HA32    28     1.09557   107.95049    52.53467
   33    29 S   CT   _C23    36     1.85586   100.09207   137.26568
   34    33 S   HC   _H3_    37     1.09658   106.68500    34.22910
   35    30 S   CO3  _C3_    29     1.52952   114.09532   174.51656
   36    35 S   O2Z  _O31    30     1.26374   116.06247    -0.51282
   37    35 S   O2Z  _O32    31     1.26429   114.41142   179.54200
   38    33 S   CA   _C11    38     1.52387   108.41388   -84.59620
   39    33 S   CT   _C20    52     1.54558   109.58753   150.89572
   40    39 S   HC   _H40    53     1.10033   109.84850    48.95345
   41    38 S   CA   _C5_    39     1.41634   119.48935   105.16296
   42    41 S   HA   _H29    40     1.08800   120.02324    -0.20936
   43    39 S   CO4  _C16    54     1.51943   114.98303   -70.37685
   44    43 S   O    _O21    55     1.21996   127.21036    28.45495
   45    41 S   CA   _C7_    41     1.39800   121.41405   178.99381
   46    45 S   HA   _H31    42     1.08405   120.90477  -179.41885
   47    43 S   OS   _O26    56     1.37168   109.08410  -153.11504
   48    45 S   CA   _C13    43     1.37710   117.71408     0.00000
   49    47 S   CT   _C17    57     1.43149   109.31214     2.59465
   50    49 S   HC   _H34    58     1.09597   108.23058   -96.12240
   51    49 S   HC   _H35    59     1.09269   109.43771   145.98517
   52    48 S   CA   _C15    44     1.37369   121.65060     0.78609
   53    39 S   CT   _C21    60     1.54059   117.15177   172.68606
   54    53 S   HC   _H41    61     1.09573   110.89225   -80.73978
   55    38 S   CA   _C9_    45     1.40690   121.61532   -74.61377
   56    55 S   HA   _H33    46     1.08484   121.59572     0.79549
   57    52 S   OS   _O25    47     1.36084   112.35566  -179.92087
   58    53 S   CT   _C22    62     1.54752   114.69214    44.44954
   59    58 S   HC   _H42    63     1.09756   110.75985    65.44802
   60    58 S   HC   _H43    64     1.09330   111.41070   -51.40751
   61    57 S   CO   _C19    48     1.44240   100.94618     1.47392
   62    61 S   HC   _H38    49     1.09451   108.89370  -123.67854
   63    61 S   HC   _H39    50     1.09634   108.56493   118.38337
   64    58 S   CA   _C10    65     1.51261   112.82352  -171.03165
   65    48 S   OS   _O23    51     1.36023   125.95138  -178.91502
   66    64 S   CA   _C4_    66     1.41438   119.91681    72.01413
   67    66 S   HA   _H28    67     1.08808   119.95126     0.09279
   68    66 S   CA   _C6_    68     1.39748   121.05180   180.00000
   69    68 S   HA   _H30    69     1.08403   120.89529   179.95577
   70    68 S   CA   _C12    70     1.37824   117.67761    -0.10279
   71    70 S   CA   _C14    71     1.37504   121.73458    -0.06853
   72    64 S   CA   _C8_    72     1.40318   120.47721  -108.29573
   73    72 S   HA   _H32    73     1.08497   121.34755     0.17359
   74    71 S   OS   _O24    74     1.36099   112.33990  -179.96044
   75    74 S   CO   _C18    75     1.44227   100.97357     0.01978
   76    75 S   HC   _H36    76     1.09608   108.66865  -120.93937
   77    75 S   HC   _H37    77     1.09609   108.67043   120.90781
   78    70 S   OS   _O22    78     1.36068   125.89798   179.98022
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  13  15   7   8   4   8   3   7   3   6   8
   8   4   3   7   7   4   4   1   4   9   4   3   3   2   1   9
   1   8   4   7   3   8   7   4   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    55    56    39    40    43    44    47    49    53    54    58  
   38    41    55    39    40    43    53  
   36    37  
   37  
    0  
   41    42    45    46    48    52    55    56    57    39    40    43    53  
   40    43    44    47    49    50    51    53    54    58    59    60    64    41    55  
   43    44    47    49    53    54    58  
   42    45    46    48    52    55    56    65  
   45    46    48    55  
   44    47    49    50    51    53    54    58  
   47    49    53  
   46    48    52    55    57    61    65  
   48    52    65  
   49    50    51    53    54    58  
   52    55    56    57    61    62    63    65  
   50    51    53    54    58    59    60    64  
   51    53    54    58  
   53    54    58  
   55    56    57    61    62    63    65  
   54    58    59    60    64    66    72  
   58    59    60    64  
   56    57    61    65  
   57  
   61    62    63    65  
   59    60    64    66    67    68    71    72    73  
   60    64    66    72  
   64    66    72  
   62    63    65  
   63    65  
   65  
   66    67    68    69    70    71    72    73    74  
    0  
   67    68    69    70    71    72    73    78  
   68    69    70    72  
   69    70    71    72    74    75    78  
   70    71    78  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    78  
   74  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    52   469.000  1.400
   48    65   450.000  1.364
   52    55   469.000  1.400
   52    57   450.000  1.364
   55    56   367.000  1.080
   57    61   320.000  1.380
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   320.000  1.380
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    53   268.000  1.529
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    66   469.000  1.400
   64    72   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    78   450.000  1.364
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   74    75   320.000  1.380
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.380
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    53    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    55    52    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    52    63.00000  120.00000
   45    48    65    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    55    63.00000  120.00000
   48    52    57    70.00000  120.00000
   48    65    61   100.00000  112.36700
   52    55    56    35.00000  120.00000
   52    57    61   100.00000  112.36700
   55    38    41    63.00000  120.00000
   57    52    55    70.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    65    92.60000  111.55000
   63    61    62    33.00000  109.50000
   65    48    52    70.00000  120.00000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    47    81.00000  111.40000
   39    53    49    58.35000  112.70000
   39    53    54    37.50000  110.70000
   39    53    58    58.35000  112.70000
   43    39    40    35.00000  109.50000
   43    47    49    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    53    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    39    40    37.50000  110.70000
   53    39    43    63.00000  111.10000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    64    66    70.00000  120.00000
   58    64    72    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   64    72    71    63.00000  120.00000
   64    72    73    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    78    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    78    75   100.00000  112.36700
   71    72    73    35.00000  120.00000
   71    74    75   100.00000  112.36700
   72    64    66    63.00000  120.00000
   74    71    72    70.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    92.60000  111.55000
   77    75    76    33.00000  109.50000
   78    70    71    70.00000  120.00000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    53   0.44750  1.0 1.0
   29    33    39    53  -0.17800 -1.0 2.0
   29    33    39    53   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    47   0.36750  1.0 3.0
   33    39    53    49   0.56750  1.0 1.0
   33    39    53    49  -0.07550 -1.0 2.0
   33    39    53    49   0.20000  1.0 3.0
   33    39    53    54   0.15000  1.0 3.0
   33    39    53    58   0.56750  1.0 1.0
   33    39    53    58  -0.07550 -1.0 2.0
   33    39    53    58   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    53   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    53  -0.03700  1.0 1.0
   38    33    39    53   0.37200 -1.0 2.0
   38    33    39    53  -0.47300  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    55    52   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   41    45    48    65   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    55   3.62500 -1.0 2.0
   45    48    52    57   3.62500 -1.0 2.0
   45    48    65    61   1.63200 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   46    45    48    65   3.62500 -1.0 2.0
   48    52   -55    38   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52   -57    61   1.63200 -1.0 2.0
   52    48   -65    61   1.63200 -1.0 2.0
   52    57    61    62   0.08050  1.0 3.0
   52    57    61    63   0.08050  1.0 3.0
   52    57   -61    65  -0.25600  1.0 1.0
   52    57   -61    65  -0.40050 -1.0 2.0
   52    57   -61    65   0.34700  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    45   3.62500 -1.0 2.0
   55    52    57    61   1.63200 -1.0 2.0
   57    52    55    38   3.62500 -1.0 2.0
   57    52    55    56   3.62500 -1.0 2.0
   57    61   -65    48  -0.25600  1.0 1.0
   57    61   -65    48  -0.40050 -1.0 2.0
   57    61   -65    48   0.34700  1.0 3.0
   62    61    65    48   0.08050  1.0 3.0
   63    61    65    48   0.08050  1.0 3.0
   65    48    52    55   3.62500 -1.0 2.0
   65    48   -52    57   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    55   0.04150 -1.0 2.0
   39    43   -47    49   1.63150  1.0 1.0
   39    43   -47    49   2.92000 -1.0 2.0
   39    53    58    59   0.15000  1.0 3.0
   39    53    58    60   0.15000  1.0 3.0
   39    53    58    64  -0.03700  1.0 1.0
   39    53    58    64   0.37200 -1.0 2.0
   39    53    58    64  -0.47300  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    53    49   0.15000  1.0 3.0
   40    39    53    54   0.15000  1.0 3.0
   40    39    53    58   0.15000  1.0 3.0
   43    39   -53    49  -0.95700  1.0 1.0
   43    39   -53    49  -0.18200 -1.0 2.0
   43    39   -53    49   0.29450  1.0 3.0
   43    39    53    54  -0.11250  1.0 3.0
   43    39    53    58  -0.95700  1.0 1.0
   43    39    53    58  -0.18200 -1.0 2.0
   43    39    53    58   0.29450  1.0 3.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    51   0.08050  1.0 3.0
   43    47   -49    53  -0.25900  1.0 1.0
   43    47   -49    53  -0.47000 -1.0 2.0
   43    47   -49    53   0.11750  1.0 3.0
   44    43    47    49   3.00000 -1.0 2.0
   47    49   -53    39   0.62750  1.0 1.0
   47    49   -53    39  -0.30950 -1.0 2.0
   47    49   -53    39   0.27300  1.0 3.0
   47    49    53    54   0.23400  1.0 3.0
   47    49    53    58   0.62750  1.0 1.0
   47    49    53    58  -0.30950 -1.0 2.0
   47    49    53    58   0.27300  1.0 3.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    60   0.15000  1.0 3.0
   49    53    58    64  -0.03700  1.0 1.0
   49    53    58    64   0.37200 -1.0 2.0
   49    53    58    64  -0.47300  1.0 3.0
   50    49    53    39   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    39   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    39    43    44   0.30150 -1.0 2.0
   53    39   -43    47   0.36750  1.0 3.0
   53    58    64    66   0.04150 -1.0 2.0
   53    58    64    72   0.04150 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.43200  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    68   3.62500 -1.0 2.0
   58    64    72    71   3.62500 -1.0 2.0
   58    64    72    73   3.62500 -1.0 2.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    64    72   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    72   0.00000  1.0 1.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   66    64    72    71   3.62500 -1.0 2.0
   66    64    72    73   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    78   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    78    75   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    78   3.62500 -1.0 2.0
   70    71   -72    64   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71   -74    75   1.63200 -1.0 2.0
   71    70   -78    75   1.63200 -1.0 2.0
   71    74    75    76   0.08050  1.0 3.0
   71    74    75    77   0.08050  1.0 3.0
   71    74   -75    78  -0.25600  1.0 1.0
   71    74   -75    78  -0.40050 -1.0 2.0
   71    74   -75    78   0.34700  1.0 3.0
   72    64    66    67   3.62500 -1.0 2.0
   72    64   -66    68   3.62500 -1.0 2.0
   72    71    74    75   1.63200 -1.0 2.0
   74    71    72    64   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    75   -78    70  -0.25600  1.0 1.0
   74    75   -78    70  -0.40050 -1.0 2.0
   74    75   -78    70   0.34700  1.0 3.0
   76    75    78    70   0.08050  1.0 3.0
   77    75    78    70   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    74   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
   41    55    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    65    48    45   4.00000 -1.0 2.0
   55    57    52    48   4.00000 -1.0 2.0
   52    56    55    38   1.10000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   66    72    64    58   4.00000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    78    70    68   4.00000 -1.0 2.0
   72    74    71    70   4.00000 -1.0 2.0
   71    73    72    64   1.10000 -1.0 2.0
END
