* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    126    205     373
    1     0 S   NP   _N1_     1    28.83944    96.65892   -24.24320
    2     1 S   H    _HN1     2     1.02945    73.43923    -7.36519
    3     1 S   H    _H1_     3     1.02825    34.39020   160.96197
    4     1 S   H    _H2_     4     1.02798   112.97471  -110.70223
    5     1 S   CT   _CA1     5     1.50141   130.34114    95.65155
    6     5 S   HC   _HA1     6     1.09573   105.16769    92.68045
    7     5 S   CO3  _C1_     7     1.53776   112.28859   -27.55415
    8     7 S   O2Z  _O11     8     1.26383   115.01888   -46.00823
    9     7 S   O2Z  _O12     9     1.26220   114.93821   132.82758
   10     5 S   CT   _CB1    10     1.53038   107.36647  -149.38784
   11    10 S   HC   HB11    11     1.09849   109.39214   -48.92339
   12    10 S   HC   HB12    12     1.09809   110.47495    67.65744
   13    10 S   CT   _CG1    13     1.53042   112.64949  -169.79454
   14    13 S   HC   HG11    14     1.09567   110.80534   -66.62526
   15    13 S   HC   HG12    15     1.09660   109.68596    52.65616
   16    13 S   C    _CD1    16     1.51816   111.72749   173.23178
   17    16 S   O    _OE1    17     1.22790   123.07240    15.34449
   18    16 S   N    _N2_    18     1.38582   112.01495  -164.77808
   19    18 S   H    _HN2    19     1.01646   119.17740     0.18557
   20    18 S   CT1  _CA2    20     1.46286   123.38051   177.72110
   21    20 S   HC   _HA2    21     1.09741   109.11687    11.54814
   22    20 S   C    _C2_    22     1.53763   109.74414  -104.27535
   23    22 S   O    _O2_    23     1.23129   122.01883  -153.71724
   24    20 S   CT   _CB2    32     1.53534   111.32828   133.31036
   25    24 S   HC   HB21    33     1.09309   108.67116    58.16191
   26    24 S   HC   HB22    34     1.09342   109.80178   176.99587
   27    22 S   N    _N3_    24     1.38250   114.21912    33.82269
   28    27 S   H    _HN3    25     1.01507   119.62869    -3.76192
   29    24 S   S    _SG2    35     1.82944   110.82900   -63.15588
   30    27 S   CT   _CA3    26     1.45269   123.26792   177.10666
   31    30 S   HC   HA31    27     1.09549   107.57974   -63.28687
   32    30 S   HC   HA32    28     1.09558   107.91528    53.15038
   33    29 S   CT   _C21    36     1.91631   103.09594   172.24956
   34    30 S   CO3  _C3_    29     1.52969   114.07409   175.13619
   35    34 S   O2Z  _O31    30     1.26383   116.11189     0.96510
   36    34 S   O2Z  _O32    31     1.26432   114.40853  -179.01384
   37    33 S   CA   _C12    37     1.57082   112.74998  -172.75408
   38    33 S   CO4  _C17    54     1.53784   100.20362    71.24616
   39    38 S   O    _O22    55     1.23215   121.94841    72.51848
   40    33 S   CM   _C18    67     1.51429   109.57120   -47.88363
   41    37 S   CA   _C11    38     1.42294   121.76041  -153.56508
   42    38 S   CA   _C9_    56     1.47922   118.84070  -105.88655
   43    40 S   CO3  _C20    68     1.55887   115.59730   -75.42425
   44    43 S   O2Z  _O21    69     1.26600   115.09906    89.13627
   45    43 S   O2Z  _O24    70     1.26632   115.07858   -89.75696
   46    41 S   CA   _C7_    39     1.40894   122.08449   174.66465
   47    46 S   HA   _H31    40     1.08877   120.21492  -179.25770
   48    41 S   CO4  _C19    51     1.48034   123.32684    -9.55481
   49    48 S   O    _O23    52     1.22539   122.32960   152.15248
   50    48 S   HC   _H33    53     1.09770   117.16511   -29.54155
   51    42 S   CA   _C5_    57     1.40978   116.76623   171.62755
   52    51 S   HA   _H29    58     1.08757   121.10963     0.44937
   53    46 S   CA   _C13    41     1.39194   120.95597     2.78157
   54    51 S   CA   _C4_    59     1.38813   120.74281  -179.13069
   55    54 S   HA   _H28    60     1.08547   120.36623   179.80923
   56    53 S   CA   _C8_    42     1.39080   118.28028     2.99728
   57    56 S   HA   _H32    43     1.08795   119.24301   175.70076
   58    53 S   CT   _C22    47     1.49789   120.75687   178.17877
   59    58 S   HC   _H34    48     1.09514   110.90112   152.16828
   60    58 S   HC   _H35    49     1.09436   110.06701   -87.31702
   61    58 S   HC   _H36    50     1.09514   110.88839    33.20345
   62    54 S   CA   _C6_    61     1.38415   119.22525     0.06256
   63    62 S   HA   _H30    62     1.08674   119.75068   179.72660
   64    37 S   CA   _C15    44     1.41644   123.44352    28.80628
   65    62 S   CA   _C14    63     1.40028   119.97913    -0.26541
   66    64 S   OH   _O26    45     1.37119   120.99436     7.49528
   67    66 S   HO   _H38    46     0.97120   109.93798   174.28197
   68    42 S   CA   _C10    64     1.40691   121.30427    -7.91976
   69    65 S   OH   _O25    71     1.37521   113.75437   179.74207
   70    69 S   HO   _H37    72     0.97561   107.26300   178.92954
   71    68 S   CMA  _C16    65     1.52718   122.14480    -1.33295
   72    71 S   OM   _O20    66     1.26932   119.23981  -173.91943
  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  18  12   4  10  10  10   5   2   1  12   4   4
   1   1   8   4   8   6   3   8   3   4   2   1   1   6   3   2
   5   1   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    64    38    39    42    71    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    56    64    66    48    38    39    42    51    68    71    72    40    43    44    45  
   35    36  
   36  
    0  
   41    46    47    53    56    57    64    66    67    48    49    50    38    39    42    71    40    43  
   39    42    51    52    54    65    68    71    40    43    41    64  
   42    51    68    40  
   43    44    45    41    42    64    65    68    71    72  
   46    47    53    56    64    66    58    48    49    50  
   51    52    54    55    62    65    68    71    72    69  
   44    45    68    71    72  
   45    71  
   71  
   47    53    56    57    64    58    59    60    61    48    49    50  
   53    56    58    48  
   49    50    53    64  
   50  
    0  
   52    54    55    62    63    65    68    71  
   54    55    62    68  
   56    57    64    66    58    59    60    61  
   55    62    63    65    68    69  
   62    63    65  
   57    64    66    67    58    59    60    61  
   64    66    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    65    68    71    69    70  
   65    68    69  
   66    67  
   68    71    72    69    70  
   67  
    0  
   71    72    69    70  
   70    71  
    0  
   72  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.911500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   72   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    38   317.000  1.522
   33    40   317.000  1.510
   37    41   469.000  1.400
   37    64   469.000  1.400
   41    46   469.000  1.400
   41    48   310.000  1.470
   46    47   367.000  1.080
   46    53   469.000  1.400
   53    56   469.000  1.400
   53    58   317.000  1.510
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    66   450.000  1.364
   66    67   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    51   469.000  1.400
   42    68   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    68   469.000  1.400
   65    69   450.000  1.364
   68    71   320.000  1.460
   71    72   745.000  1.250
   71    40   465.000  1.376
   40    43   230.000  1.545
   43    44   656.000  1.250
   43    45   656.000  1.250
   69    70   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    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    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    37    41    70.00000  120.00000
   33    37    64    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    71    70.00000  124.00000
   33    40    43    65.00000  117.04000
   37    41    46    63.00000  120.00000
   37    41    48    60.00000  119.52600
   37    64    56    63.00000  120.00000
   37    64    66    70.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    53    63.00000  120.00000
   41    48    49    75.00000  123.78400
   41    48    50    35.00000  115.00000
   46    53    56    63.00000  120.00000
   46    53    58    70.00000  120.00000
   53    46    47    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    64    63.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   56    64    66    70.00000  120.00000
   64    37    41    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    66    67    35.00000  113.00000
   58    53    56    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    41    46    60.00000  119.52600
   50    48    49    35.00000  123.00000
   38    33    37    70.00000  110.93000
   38    42    51    60.00000  119.52600
   38    42    68    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    51    52    35.00000  120.00000
   42    51    54    63.00000  120.00000
   42    68    65    63.00000  120.00000
   42    68    71    60.00000  120.93500
   51    54    55    35.00000  120.00000
   51    54    62    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    62    63    35.00000  120.00000
   54    62    65    63.00000  120.00000
   62    54    55    35.00000  120.00000
   62    65    68    63.00000  120.00000
   62    65    69    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    68    71    60.00000  120.93500
   65    69    70    35.00000  113.00000
   68    42    51    63.00000  120.00000
   68    71    72    85.00000  114.86500
   68    71    40    60.00000  123.20500
   71    40    43    55.00000  124.75400
   40    33    37    70.00000  112.99600
   40    33    38    70.00000  109.06800
   40    71    72    65.00000  137.10300
   40    43    44    85.00000  113.83300
   40    43    45    85.00000  113.83300
   45    43    44    80.00000  126.00000
   69    65    68    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    64  -0.16000  1.0 1.0
   29    33    37    64  -0.03200 -1.0 2.0
   29    33    37    64   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    71   0.42700  1.0 1.0
   29    33    40    71  -0.70350 -1.0 2.0
   29    33    40    71  -0.43150  1.0 3.0
   29    33    40    43   0.09700  1.0 1.0
   29    33    40    43   0.15600 -1.0 2.0
   29    33    40    43  -0.50800  1.0 3.0
   33    37    41    46   3.62500 -1.0 2.0
   33    37    41    48   3.62500 -1.0 2.0
   33    37    64    56   3.62500 -1.0 2.0
   33    37    64    66   3.62500 -1.0 2.0
   33    38    42    51   2.26350  1.0 1.0
   33    38    42    51   0.76750 -1.0 2.0
   33    38    42    51   0.22500  1.0 3.0
   33    38    42    68   2.26350  1.0 1.0
   33    38    42    68   0.76750 -1.0 2.0
   33    38    42    68   0.22500  1.0 3.0
   33    40    43    44  -0.64400  1.0 1.0
   33    40    43    44   0.26850 -1.0 2.0
   33    40    43    45  -0.64400  1.0 1.0
   33    40    43    45   0.26850 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    42   0.65300  1.0 1.0
   37    33    38    42  -0.03850 -1.0 2.0
   37    33    38    42   0.33900  1.0 3.0
   37    33    40    71   1.44450  1.0 1.0
   37    33    40    71   0.06600 -1.0 2.0
   37    33    40    71   0.29250  1.0 3.0
   37    33    40    43   0.09700  1.0 1.0
   37    33    40    43   0.15600 -1.0 2.0
   37    33    40    43  -0.50800  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41    46    53   3.62500 -1.0 2.0
   37    41    48    49   1.05000 -1.0 2.0
   37    41    48    50   0.56600 -1.0 2.0
   37    64    66    67   0.84100 -1.0 2.0
   41    37    64    56   3.62500 -1.0 2.0
   41    37    64    66   3.62500 -1.0 2.0
   41    46   -53    56   3.62500 -1.0 2.0
   41    46    53    58   3.62500 -1.0 2.0
   46    41    48    49   1.05000 -1.0 2.0
   46    41    48    50   0.56600 -1.0 2.0
   46    53    56    57   3.62500 -1.0 2.0
   46    53    56    64   3.62500 -1.0 2.0
   46    53    58    59   0.00000  1.0 1.0
   46    53    58    60   0.00000  1.0 1.0
   46    53    58    61   0.00000  1.0 1.0
   47    46    53    56   3.62500 -1.0 2.0
   47    46    53    58   3.62500 -1.0 2.0
   53    56   -64    37   3.62500 -1.0 2.0
   53    56    64    66   3.62500 -1.0 2.0
   56    53    58    59   0.00000  1.0 1.0
   56    53    58    60   0.00000  1.0 1.0
   56    53    58    61   0.00000  1.0 1.0
   56    64    66    67   0.84100 -1.0 2.0
   57    56    64    37   3.62500 -1.0 2.0
   57    56    64    66   3.62500 -1.0 2.0
   64    37   -41    46   3.62500 -1.0 2.0
   64    37    41    48   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   58    53    56    64   3.62500 -1.0 2.0
   48    41    46    47   3.62500 -1.0 2.0
   48    41    46    53   3.62500 -1.0 2.0
   38    33    37    41   0.04300 -1.0 2.0
   38    33    37    64   0.04300 -1.0 2.0
   38    33    40    71  -0.51250  1.0 1.0
   38    33    40    71  -0.88800 -1.0 2.0
   38    33    40    71   0.08850  1.0 3.0
   38    33    40    43   0.09700  1.0 1.0
   38    33    40    43   0.15600 -1.0 2.0
   38    33    40    43  -0.50800  1.0 3.0
   38    42    51    52   3.62500 -1.0 2.0
   38    42    51    54   3.62500 -1.0 2.0
   38    42    68    65   3.62500 -1.0 2.0
   38    42   -68    71   3.62500 -1.0 2.0
   39    38    42    51   1.05000 -1.0 2.0
   39    38    42    68   1.05000 -1.0 2.0
   42    51    54    55   3.62500 -1.0 2.0
   42    51    54    62   3.62500 -1.0 2.0
   42    68    71    72  -0.01750  1.0 1.0
   42    68    71    72  -0.32000 -1.0 2.0
   42    68    71    72   0.00600  1.0 3.0
   42    68    71    40   0.15800  1.0 1.0
   42    68    71    40   1.85350 -1.0 2.0
   42    68    71    40  -0.48700  1.0 3.0
   51    42    68    65   3.62500 -1.0 2.0
   51    42    68    71   3.62500 -1.0 2.0
   51    54    62    63   3.62500 -1.0 2.0
   51    54   -62    65   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    62   3.62500 -1.0 2.0
   54    62    65    68   3.62500 -1.0 2.0
   54    62    65    69   3.62500 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    65   3.62500 -1.0 2.0
   62    65   -68    42   3.62500 -1.0 2.0
   62    65    68    71   3.62500 -1.0 2.0
   62    65    69    70   0.84100 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   63    62    65    69   3.62500 -1.0 2.0
   65    68    71    72  -0.01750  1.0 1.0
   65    68    71    72  -0.32000 -1.0 2.0
   65    68    71    72   0.00600  1.0 3.0
   65    68    71    40   0.15800  1.0 1.0
   65    68    71    40   1.85350 -1.0 2.0
   65    68    71    40  -0.48700  1.0 3.0
   68    42    51    52   3.62500 -1.0 2.0
   68    42   -51    54   3.62500 -1.0 2.0
   68    65    69    70   0.84100 -1.0 2.0
   68    71   -40    33   7.00000 -1.0 2.0
   68    71    40    43   7.00000 -1.0 2.0
   71    40    43    44  -0.04000 -1.0 2.0
   71    40    43    44  -0.29050  1.0 3.0
   71    40    43    45  -0.04000 -1.0 2.0
   71    40    43    45  -0.29050  1.0 3.0
   72    71    40    33   7.00000 -1.0 2.0
   72    71    40    43   7.00000 -1.0 2.0
   40    33    37    41   0.18050 -1.0 2.0
   40    33    37    64   0.18050 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   69    65    68    42   3.62500 -1.0 2.0
   69    65    68    71   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   41    64    37    33   4.00000 -1.0 2.0
   46    48    41    37   4.00000 -1.0 2.0
   53    47    46    41   1.10000 -1.0 2.0
   56    58    53    46   4.00000 -1.0 2.0
   64    57    56    53   1.10000 -1.0 2.0
   56    66    64    37   4.00000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   51    68    42    38   4.00000 -1.0 2.0
   54    52    51    42   1.10000 -1.0 2.0
   62    55    54    51   1.10000 -1.0 2.0
   65    63    62    54   1.10000 -1.0 2.0
   68    69    65    62   4.00000 -1.0 2.0
   65    71    68    42   4.00000 -1.0 2.0
   68    72    71    40   1.10000 -1.0 2.0
   33    43    40    71   1.10000 -1.0 2.0
   44    40    43    45  10.50000 -1.0 2.0
END
