* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    115    174     336
    1     0 S   NP   _N1_     1    28.97261    93.13415   -21.52407
    2     1 S   H    _HN1     2     1.03187   100.55985    37.65787
    3     1 S   H    _H1_     3     1.02730    21.58483   148.00037
    4     1 S   H    _H2_     4     1.03057    90.86883   -69.51576
    5     1 S   CT   _CA1     5     1.50033   131.98413   168.38891
    6     5 S   HC   _HA1     6     1.09588   105.20685    54.81711
    7     5 S   CO3  _C1_     7     1.53798   112.46520   -64.95337
    8     7 S   O2Z  _O11     8     1.26313   115.25123   -45.13191
    9     7 S   O2Z  _O12     9     1.26311   114.86007   134.03276
   10     5 S   CT   _CB1    10     1.53103   107.37584   172.38611
   11    10 S   HC   HB11    11     1.09777   108.90215   -54.44282
   12    10 S   HC   HB12    12     1.09816   110.34727    61.90144
   13    10 S   CT   _CG1    13     1.53057   113.26908  -175.88039
   14    13 S   HC   HG11    14     1.09569   110.08018   -62.89567
   15    13 S   HC   HG12    15     1.09604   110.40493    56.26150
   16    13 S   C    _CD1    16     1.51891   111.73476   175.96857
   17    16 S   O    _OE1    17     1.22732   122.84897   -24.98631
   18    16 S   N    _N2_    18     1.38499   112.26070   156.56218
   19    18 S   H    _HN2    19     1.01535   119.17947     2.00662
   20    18 S   CT1  _CA2    20     1.46362   123.34691  -178.49143
   21    20 S   HC   _HA2    21     1.09585   109.36523    -5.75687
   22    20 S   C    _C2_    22     1.53351   107.83529  -121.09617
   23    22 S   O    _O2_    23     1.23008   122.68369  -142.28364
   24    20 S   CT   _CB2    32     1.53392   111.40633   116.73050
   25    24 S   HC   HB21    33     1.09664   109.46598    59.02450
   26    24 S   HC   HB22    34     1.09451   111.39516   176.36773
   27    22 S   N    _N3_    24     1.38495   113.34368    44.56500
   28    27 S   H    _HN3    25     1.01638   119.47252    -2.94710
   29    24 S   S    _SG2    35     1.82941   113.39572   -59.74085
   30    27 S   CT   _CA3    26     1.45273   122.93324   177.03912
   31    30 S   HC   HA31    27     1.09557   107.44222   -65.00979
   32    30 S   HC   HA32    28     1.09564   107.99902    51.34125
   33    29 S   CT   _C18    36     1.84543   100.53914   -78.76158
   34    33 S   HC   _H3_    37     1.08841   104.85875    39.02375
   35    30 S   CO3  _C3_    29     1.52890   114.31076   173.36942
   36    35 S   O2Z  _O31    30     1.26338   116.13270    -1.96194
   37    35 S   O2Z  _O32    31     1.26451   114.38721   178.15093
   38    33 S   CM   _C13    38     1.51553   109.55054   155.69251
   39    33 S   CM   _C14    64     1.50420   110.02387   -78.48882
   40    38 S   CM   _C10    39     1.34643   128.33622  -111.45562
   41    40 S   HC   _H29    40     1.08832   120.07107   176.85110
   42    38 S   CO3  _C16    61     1.53546   120.41462    67.70949
   43    42 S   O2Z  _O19    62     1.26600   115.21662   101.42175
   44    42 S   O2Z  _O22    63     1.26480   115.52734   -81.14983
   45    39 S   CMA  _C15    65     1.52537   124.96347   118.02855
   46    45 S   OM   _O17    66     1.26461   119.96454   179.62154
   47    45 S   OM   _O18    67     1.26211   122.07399    -0.79574
   48    39 S   OH   _O24    68     1.38487   117.71579   -58.63907
   49    48 S   HO   _H35    69     0.97537   104.98450  -179.75451
   50    40 S   CO4  _C11    41     1.48807   124.99205    -3.38495
   51    50 S   O    _O20    42     1.22463   122.89762   -35.96694
   52    50 S   CA   _C7_    43     1.48608   117.38273   148.07938
   53    52 S   CA   _C4_    44     1.40130   119.78494   -36.42997
   54    53 S   HA   _H27    45     1.08835   120.09564     0.21670
   55    53 S   CA   _C6_    46     1.40329   120.78716  -176.94508
   56    55 S   CA   _C5_    47     1.40508   118.98798    -0.93335
   57    56 S   HA   _H28    48     1.08650   118.29356  -179.60140
   58    55 S   CO3  _C12    58     1.50445   120.47659   177.32753
   59    58 S   O2Z  _O16    59     1.27042   117.51081    22.92307
   60    58 S   O2Z  _O21    60     1.27143   117.23394  -155.30520
   61    56 S   CA   _C8_    49     1.39939   121.01430     0.75744
   62    52 S   CA   _C9_    50     1.40322   120.83752   146.64869
   63    61 S   OS   _O25    53     1.37228   124.88132   179.77619
   64    62 S   OH   _O23    51     1.37346   121.98543    -2.37257
   65    64 S   HO   _H34    52     0.97398   109.00257     8.76392
   66    63 S   CT   _C17    54     1.42216   117.29656     0.28255
   67    66 S   HC   _H30    55     1.09430   107.73455   179.81977
   68    66 S   HC   _H31    56     1.09496   111.15812    62.11617
   69    66 S   HC   _H32    57     1.09496   111.14185   -62.48561
  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   8   5   4   3
  14   6   2   1   1  11   7   9   4   3   1   1   4   2   1   1
   1   8   3  10  10   4   8   9   4   3   1   1   8   4   5   1
   1   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    40    42    39    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    50    42    43    44    39    45    46    47    48    49  
   38    40    42    39    45    48  
   36    37  
   37  
    0  
   40    41    50    51    52    42    43    44    39    45    48  
   45    46    47    48    49    40    42  
   41    50    51    52    53    62    42    43    44  
   50    51    52    42  
   43    44    50  
   44  
    0  
   46    47    48    49  
   47    48  
   48  
   49  
    0  
   51    52    53    54    55    61    62    64  
   52    53    62  
   53    54    55    56    61    62    64    65    63    58  
   54    55    56    57    61    62    64    58    59    60  
   55    56    62    58  
   56    57    61    62    63    58    59    60  
   57    61    62    64    63    66    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    64    65    63    66    67    68    69  
   64    65    63    66  
   66    67    68    69    64  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   38    40   549.000  1.340
   38    42   230.000  1.545
   40    41   340.000  1.080
   40    50   320.000  1.462
   50    51   570.000  1.229
   50    52   310.000  1.470
   52    53   469.000  1.400
   52    62   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   450.000  1.364
   64    65   553.000  0.945
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   58    59   656.000  1.250
   58    60   656.000  1.250
   42    43   656.000  1.250
   42    44   656.000  1.250
   39    45   465.000  1.376
   39    48   510.000  1.338
   45    46   745.000  1.250
   45    47   745.000  1.250
   48    49   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  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.04000
   33    39    45    70.00000  124.00000
   33    39    48    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    50    65.00000  118.96000
   38    42    43    85.00000  113.83300
   38    42    44    85.00000  113.83300
   40    50    51    80.00000  123.72100
   40    50    52    65.00000  117.02400
   50    40    41    40.00000  117.72500
   50    52    53    60.00000  119.52600
   50    52    62    60.00000  119.52600
   52    50    51    75.00000  123.78400
   52    53    54    35.00000  120.00000
   52    53    55    63.00000  120.00000
   52    62    61    63.00000  120.00000
   52    62    64    70.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    58    85.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    80.00000  120.40000
   55    58    60    80.00000  120.40000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    70.00000  120.00000
   61    63    66    75.00000  111.00000
   62    52    53    63.00000  120.00000
   62    64    65    35.00000  113.00000
   63    61    62    70.00000  120.00000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   58    55    56    85.00000  120.00000
   60    58    59    80.00000  126.00000
   42    38    40    55.00000  124.75400
   44    42    43    80.00000  126.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    45    46    65.00000  137.10300
   39    45    47    65.00000  137.10300
   39    48    49    70.00000  107.45700
   47    45    46    65.00000  121.00000
   48    39    45    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   29    33    39    48   0.09700  1.0 1.0
   29    33    39    48   0.15600 -1.0 2.0
   29    33    39    48  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   33    38    42    43  -0.64400  1.0 1.0
   33    38    42    43   0.26850 -1.0 2.0
   33    38    42    44  -0.64400  1.0 1.0
   33    38    42    44   0.26850 -1.0 2.0
   33    39    45    46   7.00000 -1.0 2.0
   33    39    45    47   7.00000 -1.0 2.0
   33    39    48    49   2.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    39    45   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   38    33    39    45  -0.28300  1.0 1.0
   38    33    39    45   0.26700 -1.0 2.0
   38    33    39    45  -0.63300  1.0 3.0
   38    33    39    48   0.09700  1.0 1.0
   38    33    39    48   0.15600 -1.0 2.0
   38    33    39    48  -0.50800  1.0 3.0
   38    40    50    51   1.00000 -1.0 2.0
   38    40    50    52  -1.65800  1.0 1.0
   38    40    50    52   0.77650 -1.0 2.0
   40    38    42    43  -0.04000 -1.0 2.0
   40    38    42    43  -0.29050  1.0 3.0
   40    38    42    44  -0.04000 -1.0 2.0
   40    38    42    44  -0.29050  1.0 3.0
   40    50    52    53  -0.11500  1.0 1.0
   40    50    52    53   1.10450 -1.0 2.0
   40    50    52    53  -0.48050  1.0 3.0
   40    50    52    62  -0.11500  1.0 1.0
   40    50    52    62   1.10450 -1.0 2.0
   40    50    52    62  -0.48050  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   1.64500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    55   3.62500 -1.0 2.0
   50    52    62    61   3.62500 -1.0 2.0
   50    52    62    64   3.62500 -1.0 2.0
   51    50    52    53   1.05000 -1.0 2.0
   51    50    52    62   1.05000 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    58   3.62500 -1.0 2.0
   52    62    64    65   0.84100 -1.0 2.0
   53    52    62    61   3.62500 -1.0 2.0
   53    52    62    64   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55   -56    61   3.62500 -1.0 2.0
   53    55    58    59   1.05000 -1.0 2.0
   53    55    58    60   1.05000 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    56    61    63   3.62500 -1.0 2.0
   56    55    58    59   1.05000 -1.0 2.0
   56    55    58    60   1.05000 -1.0 2.0
   56    61   -62    52   3.62500 -1.0 2.0
   56    61    62    64   3.62500 -1.0 2.0
   56    61    63    66   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   0.84100 -1.0 2.0
   61    63    66    67   0.08050  1.0 3.0
   61    63    66    68   0.08050  1.0 3.0
   61    63    66    69   0.08050  1.0 3.0
   62    52    53    54   3.62500 -1.0 2.0
   62    52   -53    55   3.62500 -1.0 2.0
   62    61    63    66   1.63200 -1.0 2.0
   63    61    62    52   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    50   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
   45    39    48    49  -0.66100  1.0 1.0
   45    39    48    49   1.20850 -1.0 2.0
   45    39    48    49  -0.36000  1.0 3.0
   48    39    45    46   7.00000 -1.0 2.0
   48    39    45    47   7.00000 -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
   33    42    38    40  15.00000 -1.0 2.0
   50    41    40    38  15.00000 -1.0 2.0
   40    52    50    51  10.50000 -1.0 2.0
   53    62    52    50   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   56    58    55    53   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   61    64    62    52   4.00000 -1.0 2.0
   59    55    58    60  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
   33    48    39    45  15.00000 -1.0 2.0
   46    47    45    39  15.00000 -1.0 2.0
END
