* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    130    197     372
    1     0 S   NP   _N1_     1    28.12047    95.72229   -22.50160
    2     1 S   H    _HN1     2     1.02776   100.00688  -108.64915
    3     1 S   H    _H1_     3     1.02957    80.45830    -1.53225
    4     1 S   H    _H2_     4     1.02835    32.36025   143.62471
    5     1 S   CT   _CA1     5     1.50126   139.29898   108.72847
    6     5 S   HC   _HA1     6     1.09574   105.22098    78.28376
    7     5 S   CO3  _C1_     7     1.53791   112.37422   -41.92009
    8     7 S   O2Z  _O11     8     1.26365   114.99781   -43.71663
    9     7 S   O2Z  _O12     9     1.26237   114.93465   135.41537
   10     5 S   CT   _CB1    10     1.53099   107.42544  -163.79389
   11    10 S   HC   HB11    11     1.09826   109.34731   -50.48023
   12    10 S   HC   HB12    12     1.09816   110.42039    66.08206
   13    10 S   CT   _CG1    13     1.53012   112.66089  -171.55259
   14    13 S   HC   HG11    14     1.09595   110.48147   -64.10653
   15    13 S   HC   HG12    15     1.09655   109.92942    55.09158
   16    13 S   C    _CD1    16     1.51832   112.33443   175.47199
   17    16 S   O    _OE1    17     1.22743   123.30004    -0.26020
   18    16 S   N    _N2_    18     1.38551   111.68504   179.77532
   19    18 S   H    _HN2    19     1.01557   119.05499     4.68680
   20    18 S   CT1  _CA2    20     1.45838   122.88028   178.29223
   21    20 S   HC   _HA2    21     1.09726   108.93906    24.22197
   22    20 S   C    _C2_    22     1.52846   106.74267   -93.00438
   23    22 S   O    _O2_    23     1.22997   122.89770   -31.01543
   24    20 S   CT   _CB2    32     1.53299   112.26630   147.37158
   25    24 S   HC   HB21    33     1.09571   109.87105    53.78945
   26    24 S   HC   HB22    34     1.09225   109.68499   171.92357
   27    22 S   N    _N3_    24     1.38463   112.70329   151.68309
   28    27 S   H    _HN3    25     1.01615   120.35707    -2.20753
   29    24 S   S    _SG2    35     1.83162   110.48812   -65.82584
   30    27 S   CT   _CA3    26     1.45347   122.37821   178.52395
   31    30 S   HC   HA31    27     1.09569   107.60782   -59.49508
   32    30 S   HC   HA32    28     1.09568   107.75960    56.77653
   33    29 S   CT   _C17    36     1.87502   102.77761  -161.67707
   34    30 S   CO3  _C3_    29     1.52863   114.48250   178.64289
   35    34 S   O2Z  _O31    30     1.26310   116.12559    -2.10394
   36    34 S   O2Z  _O32    31     1.26443   114.39390   177.95216
   37    33 S   CM   _C16    37     1.51955   111.09862   -39.74621
   38    37 S   HC   _H9_    38     1.08855   118.16455   -30.58221
   39    33 S   OS   _O35    68     1.45469   109.59803  -159.42225
   40    37 S   CMA  _C15    39     1.34963   123.47576   152.07764
   41    40 S   OM   _O36    40     1.25889   130.81025   178.85005
   42    39 S   CT   _C18    69     1.42141   117.79622    67.60574
   43    42 S   HC   _H10    70     1.09394   107.68478  -174.16844
   44    42 S   HC   _H11    71     1.09341   111.15427    68.28717
   45    42 S   HC   _H12    72     1.09253   112.08682   -55.69931
   46    40 S   CM   _C14    41     1.46363   117.72282     1.93178
   47    46 S   HC   _H8_    42     1.09016   118.11650   162.16046
   48    46 S   CM   _C13    43     1.34670   122.06809   -18.80703
   49    33 S   CT   _C11    44     1.58575   111.27512    83.90976
   50    48 S   CO4  _C19    61     1.48022   115.79920  -178.94612
   51    50 S   O    _O37    62     1.22235   124.16706   -45.40191
   52    49 S   CO4  _C12    45     1.53086   111.61252    69.61001
   53    52 S   O    _O34    46     1.21778   127.01017    66.09590
   54    49 S   OS   _O33    56     1.45440   111.73131   -46.83660
   55    50 S   OS   _O38    63     1.35773   109.26777   133.39352
   56    52 S   CA   _C8_    47     1.45545   107.74086  -115.72051
   57    55 S   CT   _C20    64     1.42975   115.40524   178.80860
   58    57 S   HC   _H13    65     1.09328   108.07914  -178.24465
   59    57 S   HC   _H14    66     1.09411   110.24223    63.03821
   60    57 S   HC   _H15    67     1.09427   110.33689   -59.58787
   61    56 S   CA   _C7_    48     1.40095   130.76755   177.56121
   62    61 S   OM   _O39    49     1.27624   125.16229    -0.74072
   63    61 S   CA   _C6_    50     1.41746   112.37174   179.22469
   64    63 S   HA   _H6_    51     1.09278   118.23762  -179.77971
   65    63 S   CA   _C5_    52     1.41790   124.18353     0.15826
   66    65 S   CA   _C10    53     1.39396   119.54885    -1.25305
   67    66 S   HA   _H7_    54     1.08444   121.37157  -178.40088
   68    65 S   CT   _C4_    57     1.49984   120.18959  -178.54303
   69    68 S   HC   _H3_    58     1.09425   109.99605    90.16509
   70    68 S   HC   _H4_    59     1.09503   110.84419  -149.30352
   71    68 S   HC   _H5_    60     1.09501   110.97170   -30.35275
   72    56 S   CA   _C9_    55     1.38749   104.50585    -3.57062
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   2   1   1  11   5   9   6   3   4   2   1   1   8   3  10
  10   8   2   8   4   6   4   8   3   2   1   1   7   4   9   3
   7   6   2   4   2   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    49    52    54    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    48    49    52    53    56    72    54    50    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    49    52    54    39    42  
   40    41    46    49    39  
   42    43    44    45    40    48    49    52    54  
   41    46    47    48    49    50  
   46    47    48  
   43    44    45    49  
   44    45  
   45  
    0  
   47    48    49    52    54    50    51    55  
   48    49    50  
   49    52    53    56    72    54    50    51    55    57  
   52    53    56    61    66    72    54    50    51    55  
   51    55    57    58    59    60    52    54  
   55    57  
   53    56    61    62    63    66    72    54  
   56    61    72    54  
   56    61    65    66    67    72  
   57    58    59    60  
   61    62    63    64    65    66    67    72  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    72    68  
   63    64    65    72  
   64    65    66    67    72    68    69    70    71  
   65    66    68  
   66    67    72    68    69    70    71  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71  
   71  
    0  
    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   0.417900   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   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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    49   268.000  1.529
   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   465.000  1.376
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   317.000  1.510
   48    50   320.000  1.462
   49    52   317.000  1.522
   49    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    61   469.000  1.400
   56    72   469.000  1.400
   61    62   450.000  1.364
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    54   450.000  1.364
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   50    51   570.000  1.229
   50    55   214.000  1.327
   55    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   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    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    48    70.00000  112.02700
   33    49    52    63.00000  111.10000
   33    49    54    50.00000  109.50000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    47    40.00000  120.50800
   40    46    48    70.00000  117.34000
   46    40    41    65.00000  137.10300
   46    48    49    70.00000  124.00000
   46    48    50    65.00000  118.96000
   48    46    47    35.00000  120.00000
   48    49    52    70.00000  109.06800
   48    49    54    85.00000  110.90400
   48    50    51    80.00000  123.72100
   48    50    55    90.00000  111.29400
   49    33    37    70.00000  112.02700
   49    52    53    80.00000  120.40000
   49    52    56    65.00000  115.47100
   49    54    72    75.00000  111.00000
   52    56    61    60.00000  119.52600
   52    56    72    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    61    62    70.00000  120.00000
   56    61    63    63.00000  120.00000
   56    72    66    63.00000  120.00000
   56    72    54    70.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    70.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    68    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    54    70.00000  120.00000
   72    56    61    63.00000  120.00000
   72    66    67    35.00000  120.00000
   54    49    52    90.00000  108.74100
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   50    48    49    65.00000  116.34900
   50    55    57    83.00000  116.90000
   55    50    51    83.00000  123.40000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    49    50.00000  109.50000
   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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    49    48   0.56750  1.0 1.0
   29    33    49    48  -0.07550 -1.0 2.0
   29    33    49    48   0.20000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    49    54   0.56750  1.0 1.0
   29    33    49    54  -0.07550 -1.0 2.0
   29    33    49    54   0.20000  1.0 3.0
   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    49    52    53   0.30150 -1.0 2.0
   33    49    52    56   0.05850 -1.0 2.0
   33    49    52    56   0.17250  1.0 3.0
   33    49    54    72  -0.32850  1.0 1.0
   33    49    54    72  -0.35800 -1.0 2.0
   33    49    54    72   0.33950  1.0 3.0
   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    49    48   0.31000  1.0 1.0
   37    33    49    48   0.14700 -1.0 2.0
   37    33    49    48   0.07550  1.0 3.0
   37    33    49    52  -0.98800  1.0 1.0
   37    33    49    52   0.48800 -1.0 2.0
   37    33    49    52   0.76800  1.0 3.0
   37    33    49    54   0.61850  1.0 1.0
   37    33    49    54  -0.22750 -1.0 2.0
   37    33    49    54   0.15300  1.0 3.0
   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   7.00000 -1.0 2.0
   37    40   -46    48   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    50   7.00000 -1.0 2.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   46    48   -49    33   0.09850  1.0 1.0
   46    48   -49    33   0.15250 -1.0 2.0
   46    48   -49    33  -0.50650  1.0 3.0
   46    48    49    52  -0.51250  1.0 1.0
   46    48    49    52  -0.88800 -1.0 2.0
   46    48    49    52   0.08850  1.0 3.0
   46    48    49    54   0.39000  1.0 1.0
   46    48    49    54  -0.05800 -1.0 2.0
   46    48    49    54  -0.55150  1.0 3.0
   46    48    50    51   1.00000 -1.0 2.0
   46    48    50    55  -0.56150  1.0 1.0
   46    48    50    55   2.19150 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    49    52    53   0.30150 -1.0 2.0
   48    49    52    56   0.65300  1.0 1.0
   48    49    52    56  -0.03850 -1.0 2.0
   48    49    52    56   0.33900  1.0 3.0
   48    49    54    72  -0.25600  1.0 1.0
   48    49    54    72  -0.40050 -1.0 2.0
   48    49    54    72   0.34700  1.0 3.0
   48    50    55    57   2.00000 -1.0 2.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    39    42   0.06250  1.0 1.0
   49    33    39    42  -0.01100 -1.0 2.0
   49    33    39    42   0.28050  1.0 3.0
   49    48    50    51  -0.64400  1.0 1.0
   49    48    50    51   0.26850 -1.0 2.0
   49    48    50    55  -0.15000  1.0 1.0
   49    48    50    55   0.89550 -1.0 2.0
   49    48    50    55  -0.06900  1.0 3.0
   49    52    56    61   2.26350  1.0 1.0
   49    52    56    61   0.76750 -1.0 2.0
   49    52    56    61   0.22500  1.0 3.0
   49    52   -56    72   2.26350  1.0 1.0
   49    52   -56    72   0.76750 -1.0 2.0
   49    52   -56    72   0.22500  1.0 3.0
   52    49   -54    72  -0.25600  1.0 1.0
   52    49   -54    72  -0.40050 -1.0 2.0
   52    49   -54    72   0.34700  1.0 3.0
   52    56    61    62   3.62500 -1.0 2.0
   52    56    61    63   3.62500 -1.0 2.0
   52    56    72    66   3.62500 -1.0 2.0
   52    56   -72    54   3.62500 -1.0 2.0
   53    52    56    61   1.05000 -1.0 2.0
   53    52    56    72   1.05000 -1.0 2.0
   56    61    63    64   3.62500 -1.0 2.0
   56    61    63    65   3.62500 -1.0 2.0
   56    72   -54    49   1.63200 -1.0 2.0
   61    56    72    66   3.62500 -1.0 2.0
   61    56    72    54   3.62500 -1.0 2.0
   61    63   -65    66   3.62500 -1.0 2.0
   61    63    65    68   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    72   3.62500 -1.0 2.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    70   0.00000  1.0 1.0
   63    65    68    71   0.00000  1.0 1.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    68   3.62500 -1.0 2.0
   65    66   -72    56   3.62500 -1.0 2.0
   65    66    72    54   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    54    49   1.63200 -1.0 2.0
   67    66    72    56   3.62500 -1.0 2.0
   67    66    72    54   3.62500 -1.0 2.0
   72    56    61    62   3.62500 -1.0 2.0
   72    56   -61    63   3.62500 -1.0 2.0
   54    49    52    53   0.30150 -1.0 2.0
   54    49   -52    56   0.65300  1.0 1.0
   54    49   -52    56  -0.03850 -1.0 2.0
   54    49   -52    56   0.33900  1.0 3.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   50    48    49    33   0.09700  1.0 1.0
   50    48    49    33   0.15600 -1.0 2.0
   50    48    49    33  -0.50800  1.0 3.0
   50    48    49    52   0.09700  1.0 1.0
   50    48    49    52   0.15600 -1.0 2.0
   50    48    49    52  -0.50800  1.0 3.0
   50    48    49    54   0.09700  1.0 1.0
   50    48    49    54   0.15600 -1.0 2.0
   50    48    49    54  -0.50800  1.0 3.0
   50    55    57    58   0.08050  1.0 3.0
   50    55    57    59   0.08050  1.0 3.0
   50    55    57    60   0.08050  1.0 3.0
   51    50    55    57   3.00000 -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    49    48   0.61850  1.0 1.0
   39    33    49    48  -0.22750 -1.0 2.0
   39    33    49    48   0.15300  1.0 3.0
   39    33    49    52  -0.09450  1.0 1.0
   39    33    49    52  -1.12950 -1.0 2.0
   39    33    49    52   0.54000  1.0 3.0
   39    33    49    54   1.11900  1.0 1.0
   39    33    49    54  -1.16350 -1.0 2.0
   39    33    49    54  -0.34150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  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
   40    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   49    56    52    53  10.50000 -1.0 2.0
   61    72    56    52   4.00000 -1.0 2.0
   63    62    61    56   4.00000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    68    65    63   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    54    72    56   4.00000 -1.0 2.0
   48    55    50    51  10.50000 -1.0 2.0
END
