* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    186     349
    1     0 S   NP   _N1_     1    30.60555    99.14433   -22.89647
    2     1 S   H    _HN1     2     1.03470   150.07894  -115.83238
    3     1 S   H    _H1_     3     1.02851    53.92538   -55.48257
    4     1 S   H    _H2_     4     1.02747    63.84524   164.30973
    5     1 S   CT   _CA1     5     1.50142    97.71658    54.64643
    6     5 S   HC   _HA1     6     1.09539   104.85212   123.40865
    7     5 S   CO3  _C1_     7     1.53679   113.37997     2.81494
    8     7 S   O2Z  _O11     8     1.26413   115.07501   -30.54119
    9     7 S   O2Z  _O12     9     1.26229   115.10069   148.86597
   10     5 S   CT   _CB1    10     1.52987   107.36679  -118.04361
   11    10 S   HC   HB11    11     1.09485   109.52714   -37.89963
   12    10 S   HC   HB12    12     1.09835   110.57922    77.79529
   13    10 S   CT   _CG1    13     1.53122   112.91093  -160.19303
   14    13 S   HC   HG11    14     1.09510   110.97104   -89.75994
   15    13 S   HC   HG12    15     1.09519   111.20420    29.67275
   16    13 S   C    _CD1    16     1.51460   109.32821   150.09851
   17    16 S   O    _OE1    17     1.22817   121.79081    86.63052
   18    16 S   N    _N2_    18     1.38649   112.61055   -89.89487
   19    18 S   H    _HN2    19     1.01619   119.10214    -6.05385
   20    18 S   CT1  _CA2    20     1.46172   123.37170   172.30900
   21    20 S   HC   _HA2    21     1.09714   109.00627   -10.21276
   22    20 S   C    _C2_    22     1.53825   108.98936  -125.95837
   23    22 S   O    _O2_    23     1.23076   122.01339  -157.83813
   24    20 S   CT   _CB2    32     1.53442   112.23647   111.96808
   25    24 S   HC   HB21    33     1.09444   110.07503    64.38645
   26    24 S   HC   HB22    34     1.09569   109.98865  -178.57070
   27    22 S   N    _N3_    24     1.38295   114.04089    28.58745
   28    27 S   H    _HN3    25     1.01416   119.02684    -1.81672
   29    24 S   S    _SG2    35     1.82886   112.08049   -59.78915
   30    27 S   CT   _CA3    26     1.45306   123.61347   178.61182
   31    30 S   HC   HA31    27     1.09547   107.22409   -70.24185
   32    30 S   HC   HA32    28     1.09553   108.21975    46.13733
   33    29 S   CT   _C17    36     1.85569   100.75670   127.93902
   34    30 S   CO3  _C3_    29     1.53102   114.32523   168.24525
   35    34 S   O2Z  _O31    30     1.26439   116.38427    -5.38412
   36    34 S   O2Z  _O32    31     1.26410   114.41646   174.69127
   37    33 S   CM   _C14    37     1.49858   109.67130   -64.10534
   38    37 S   HC   _H27    38     1.09200   114.56228    92.07552
   39    33 S   OS   _O21    64     1.42993   108.90645    59.38352
   40    37 S   CMA  _C15    39     1.35371   128.23317   -93.48326
   41    40 S   OM   _O17    40     1.26513   123.69622  -170.26942
   42    39 S   CT   _C19    65     1.42313   116.50838  -177.35758
   43    42 S   HC   _H31    66     1.09375   107.80511  -172.03210
   44    42 S   HC   _H32    67     1.09341   110.95068    70.24475
   45    42 S   HC   _H33    68     1.09303   112.00023   -53.19182
   46    40 S   CA   _C11    41     1.53005   114.44577     7.66270
   47    46 S   CA   _C8_    42     1.44981   123.90856   156.87643
   48    46 S   CA   _C10    54     1.41209   118.36684   -25.78704
   49    47 S   CA   _C5_    43     1.42313   125.01826   -10.68465
   50    49 S   HA   _H24    44     1.08610   121.18486    -2.41759
   51    33 S   CO4  _C16    55     1.52614   105.52091   178.03696
   52    51 S   O    _O18    56     1.22881   123.04059   -93.53816
   53    49 S   CA   _C7_    45     1.39797   123.52687  -179.96044
   54    53 S   HA   _H26    46     1.08639   119.18840   179.10234
   55    53 S   CA   _C12    47     1.38115   119.51102    -0.18663
   56    55 S   CA   _C13    48     1.39307   119.65430     0.04846
   57    55 S   OH   _O19    62     1.36647   120.42329   178.98973
   58    57 S   HO   _H34    63     0.97250   108.61565    -0.46394
   59    47 S   CA   _C9_    49     1.42771   119.41013   171.07232
   60    56 S   OS   _O20    57     1.37830   118.80796   177.94452
   61    59 S   CA   _C4_    50     1.40383   119.40397     2.69755
   62    61 S   HA   _H23    51     1.08840   120.88780   179.32334
   63    60 S   CT   _C18    58     1.42906   110.24367    84.73059
   64    63 S   HC   _H28    59     1.09409   107.73036   173.91453
   65    63 S   HC   _H29    60     1.09576   111.46387    55.62302
   66    63 S   HC   _H30    61     1.09480   111.31401   -67.91327
   67    61 S   CA   _C6_    52     1.38582   121.43265     1.63482
   68    67 S   HA   _H25    53     1.08688   118.80037   176.66969
  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
  14   2   1   1  10   5   8   8   3   4   2   1   1  12  13   8
   8   4   4   1   7   3   7  11   3   1   6   5   3   2   3   2
   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    51    52    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    67    48    51    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    51    52    39    42  
   40    41    46    51    39  
   42    43    44    45    40    48    51    52  
   41    46    47    49    59    67    48    51  
   46    47    48  
   43    44    45    51  
   44    45  
   45  
    0  
   47    49    50    53    56    59    61    67    68    48    51    52  
   49    50    53    54    55    56    59    61    62    67    48    51    60  
   51    52    49    59    61    62    67    68  
   50    53    54    55    56    59    61    57  
   53    54    55    59  
   52    61    67    68  
   67  
   54    55    56    59    60    57    58  
   55    56    57  
   56    59    61    60    63    57    58  
   59    61    62    67    60    63    64    65    66    57    58  
   58    59    60  
    0  
   61    62    67    68    60    63  
   63    64    65    66    61  
   62    67    68  
   67    68  
   64    65    66  
   65    66  
   66  
    0  
   68  
    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  -0.316400   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   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    51   317.000  1.522
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   320.000  1.460
   46    47   469.000  1.400
   46    48   469.000  1.400
   47    49   469.000  1.400
   47    59   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    57   450.000  1.364
   56    59   469.000  1.400
   56    60   450.000  1.364
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    67   469.000  1.400
   67    68   367.000  1.080
   67    48   469.000  1.400
   48    51   310.000  1.470
   51    52   570.000  1.229
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   57    58   553.000  0.945
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    51    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    51    48    65.00000  115.47100
   33    51    52    80.00000  120.40000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    60.00000  123.20500
   40    37    38    40.00000  120.50800
   40    46    47    60.00000  120.93500
   40    46    48    60.00000  120.93500
   46    40    41    85.00000  114.86500
   46    47    49    63.00000  120.00000
   46    47    59    63.00000  120.00000
   46    48    67    63.00000  120.00000
   46    48    51    60.00000  119.52600
   47    49    50    35.00000  120.00000
   47    49    53    63.00000  120.00000
   47    59    56    63.00000  120.00000
   47    59    61    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    55    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    57    70.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    59    63.00000  120.00000
   55    56    60    70.00000  120.00000
   55    57    58    35.00000  113.00000
   56    59    61    63.00000  120.00000
   56    60    63    75.00000  111.00000
   59    47    49    63.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    67    63.00000  120.00000
   61    67    68    35.00000  120.00000
   61    67    48    63.00000  120.00000
   67    61    62    35.00000  120.00000
   67    48    51    60.00000  119.52600
   48    46    47    63.00000  120.00000
   48    67    68    35.00000  120.00000
   48    51    52    75.00000  123.78400
   51    33    37    70.00000  109.06800
   60    56    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   57    55    56    70.00000  120.00000
   39    33    37    85.00000  110.90400
   39    33    51    90.00000  108.74100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    48   0.65300  1.0 1.0
   29    33    51    48  -0.03850 -1.0 2.0
   29    33    51    48   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    51    48   0.65300  1.0 1.0
   37    33    51    48  -0.03850 -1.0 2.0
   37    33    51    48   0.33900  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40    46    47   0.15800  1.0 1.0
   37    40    46    47   1.85350 -1.0 2.0
   37    40    46    47  -0.48700  1.0 3.0
   37    40   -46    48   0.15800  1.0 1.0
   37    40   -46    48   1.85350 -1.0 2.0
   37    40   -46    48  -0.48700  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    49   3.62500 -1.0 2.0
   40    46    47    59   3.62500 -1.0 2.0
   40    46    48    67   3.62500 -1.0 2.0
   40    46    48    51   3.62500 -1.0 2.0
   41    40    46    47  -0.01750  1.0 1.0
   41    40    46    47  -0.32000 -1.0 2.0
   41    40    46    47   0.00600  1.0 3.0
   41    40    46    48  -0.01750  1.0 1.0
   41    40    46    48  -0.32000 -1.0 2.0
   41    40    46    48   0.00600  1.0 3.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    53   3.62500 -1.0 2.0
   46    47    59    56   3.62500 -1.0 2.0
   46    47    59    61   3.62500 -1.0 2.0
   46    48   -51    33   2.26350  1.0 1.0
   46    48   -51    33   0.76750 -1.0 2.0
   46    48   -51    33   0.22500  1.0 3.0
   46    48    51    52   1.05000 -1.0 2.0
   47    46    48    67   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    55   3.62500 -1.0 2.0
   47    59    61    62   3.62500 -1.0 2.0
   47    59   -61    67   3.62500 -1.0 2.0
   49    47    59    56   3.62500 -1.0 2.0
   49    47    59    61   3.62500 -1.0 2.0
   49    53   -55    56   3.62500 -1.0 2.0
   49    53    55    57   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    55   3.62500 -1.0 2.0
   53    55    56    59   3.62500 -1.0 2.0
   53    55    56    60   3.62500 -1.0 2.0
   53    55    57    58   0.84100 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    56   -59    47   3.62500 -1.0 2.0
   55    56    59    61   3.62500 -1.0 2.0
   55    56    60    63   1.63200 -1.0 2.0
   56    55    57    58   0.84100 -1.0 2.0
   56    59    61    62   3.62500 -1.0 2.0
   56    59    61    67   3.62500 -1.0 2.0
   56    60    63    64   0.08050  1.0 3.0
   56    60    63    65   0.08050  1.0 3.0
   56    60    63    66   0.08050  1.0 3.0
   59    47    49    50   3.62500 -1.0 2.0
   59    47   -49    53   3.62500 -1.0 2.0
   59    56    60    63   1.63200 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    67    48   3.62500 -1.0 2.0
   61    67   -48    46   3.62500 -1.0 2.0
   61    67    48    51   3.62500 -1.0 2.0
   62    61    67    68   3.62500 -1.0 2.0
   62    61    67    48   3.62500 -1.0 2.0
   67    48    51    33   2.26350  1.0 1.0
   67    48    51    33   0.76750 -1.0 2.0
   67    48    51    33   0.22500  1.0 3.0
   67    48    51    52   1.05000 -1.0 2.0
   68    67    48    46   3.62500 -1.0 2.0
   68    67    48    51   3.62500 -1.0 2.0
   48    46    47    49   3.62500 -1.0 2.0
   48    46   -47    59   3.62500 -1.0 2.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40  -0.51250  1.0 1.0
   51    33   -37    40  -0.88800 -1.0 2.0
   51    33   -37    40   0.08850  1.0 3.0
   51    33    39    42  -1.11000  1.0 1.0
   51    33    39    42   0.50250 -1.0 2.0
   51    33    39    42   0.47450  1.0 3.0
   60    56    59    47   3.62500 -1.0 2.0
   60    56    59    61   3.62500 -1.0 2.0
   57    55    56    59   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    51    48   0.65300  1.0 1.0
   39    33    51    48  -0.03850 -1.0 2.0
   39    33    51    48   0.33900  1.0 3.0
   39    33    51    52   0.30150 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   47    48    46    40   4.00000 -1.0 2.0
   49    59    47    46   4.00000 -1.0 2.0
   53    50    49    47   1.10000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
   56    57    55    53   4.00000 -1.0 2.0
   59    60    56    55   4.00000 -1.0 2.0
   56    61    59    47   4.00000 -1.0 2.0
   67    62    61    59   1.10000 -1.0 2.0
   48    68    67    61   1.10000 -1.0 2.0
   67    51    48    46   4.00000 -1.0 2.0
   33    48    51    52  10.50000 -1.0 2.0
END
