* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    138    206     401
    1     0 S   NP   _N1_     1    28.65504    94.85267   -21.45445
    2     1 S   H    _HN1     2     1.02782    89.07159   -67.95832
    3     1 S   H    _H1_     3     1.02959    89.73521    40.35250
    4     1 S   H    _H2_     4     1.02838    31.87485   164.64178
    5     1 S   CT   _CA1     5     1.50100   142.63667   165.03340
    6     5 S   HC   _HA1     6     1.09578   105.25233    58.95835
    7     5 S   CO3  _C1_     7     1.53782   112.34156   -61.24529
    8     7 S   O2Z  _O11     8     1.26350   115.02574   -46.19076
    9     7 S   O2Z  _O12     9     1.26240   114.91305   133.08991
   10     5 S   CT   _CB1    10     1.53105   107.42874   176.79484
   11    10 S   HC   HB11    11     1.09817   109.32117   -51.50641
   12    10 S   HC   HB12    12     1.09820   110.45451    65.05353
   13    10 S   CT   _CG1    13     1.52963   112.60784  -172.66388
   14    13 S   HC   HG11    14     1.09496   110.32966   -62.62866
   15    13 S   HC   HG12    15     1.09643   110.09462    56.48557
   16    13 S   C    _CD1    16     1.51765   112.36680   176.72296
   17    16 S   O    _OE1    17     1.22715   123.24407    -8.74680
   18    16 S   N    _N2_    18     1.38593   111.61095   172.01200
   19    18 S   H    _HN2    19     1.01603   119.03646     0.07133
   20    18 S   CT1  _CA2    20     1.46179   123.43438   179.28728
   21    20 S   HC   _HA2    21     1.09733   109.40360   -11.72451
   22    20 S   C    _C2_    22     1.53493   108.27677  -127.28184
   23    22 S   O    _O2_    23     1.23017   122.21959  -146.61381
   24    20 S   CT   _CB2    32     1.53447   111.43114   110.53520
   25    24 S   HC   HB21    33     1.09451   109.47219    54.54593
   26    24 S   HC   HB22    34     1.09486   109.96968   173.11929
   27    22 S   N    _N3_    24     1.38499   113.39708    40.80142
   28    27 S   H    _HN3    25     1.01526   118.89988    -0.89219
   29    24 S   S    _SG2    35     1.83237   111.53064   -68.03986
   30    27 S   CT   _CA3    26     1.45463   123.61124   175.15649
   31    30 S   HC   HA31    27     1.09511   109.43088    20.25818
   32    30 S   HC   HA32    28     1.09502   107.06841   137.29743
   33    29 S   CT   _C15    36     1.88007   102.38095   156.64074
   34    30 S   CO3  _C3_    29     1.52919   113.00234  -103.35416
   35    34 S   O2Z  _O31    30     1.26415   115.37165   -44.78239
   36    34 S   O2Z  _O32    31     1.26349   114.99997   136.11799
   37    33 S   CA   _C7_    37     1.54312   113.04162   -61.47997
   38    33 S   CT   _C14    48     1.54661   105.47473    56.41270
   39    38 S   HC   _H11    49     1.09547   112.44575    58.52642
   40    38 S   HC   _H12    50     1.09682   112.83638   -62.35631
   41    33 S   CT   _C16    66     1.58758   109.35807   176.39576
   42    41 S   HC   _H13    67     1.09856   107.74775   177.93901
   43    37 S   CA   _C6_    38     1.41043   121.60635   -33.57692
   44    43 S   HA   _H6_    39     1.08824   119.99362    -1.16567
   45    41 S   CT   _C17    68     1.53978   114.44703   -64.78414
   46    45 S   HC   _H14    69     1.09387   112.16640    61.51321
   47    45 S   HC   _H15    70     1.09320   111.83336   -60.68624
   48    45 S   HC   _H16    71     1.09623   110.41613  -178.87848
   49    41 S   CT   _C18    72     1.54051   114.89757    61.00447
   50    49 S   HC   _H17    73     1.09378   112.36087   -62.03912
   51    49 S   HC   _H18    74     1.09635   110.31380   178.45326
   52    49 S   HC   _H19    75     1.09288   111.80087    60.43329
   53    43 S   CA   _C5_    40     1.40403   122.36487   179.63096
   54    53 S   CA   _C10    41     1.39956   119.29959    -1.22908
   55    53 S   CT   _C4_    62     1.50415   119.19518  -179.14866
   56    55 S   HC   _H3_    63     1.09430   110.03907    99.02325
   57    55 S   HC   _H4_    64     1.09486   111.04394  -139.78495
   58    55 S   HC   _H5_    65     1.09476   111.08329   -21.26661
   59    54 S   CA   _C9_    42     1.39765   119.07390     2.74538
   60    59 S   HA   _H7_    43     1.08708   120.26840   178.56278
   61    54 S   OS   _O33    57     1.37118   116.09137  -177.82219
   62    37 S   CA   _C8_    44     1.41285   120.42223   148.05051
   63    61 S   CT   _C11    58     1.42219   117.44062   178.90711
   64    63 S   HC   _H8_    59     1.09429   107.73151  -178.88355
   65    63 S   HC   _H9_    60     1.09492   111.10052    63.44640
   66    63 S   HC   _H10    61     1.09499   111.18957   -61.15353
   67    62 S   CT   _C12    45     1.52337   122.43065     3.01207
   68    67 S   CO4  _C13    46     1.52078   113.73720   -10.76935
   69    68 S   O    _O34    47     1.23174   122.30080   166.20793
   70    67 S   CT   _C19    51     1.53366   111.22425   113.92580
   71    70 S   HC   _H20    52     1.09638   111.36697   179.58693
   72    70 S   HC   _H21    53     1.09575   111.70340    61.49468
   73    70 S   HC   _H22    54     1.09539   111.56990   -59.83227
   74    67 S   OH   _O35    55     1.42944   108.40864  -125.72443
   75    74 S   HO   _H23    56     0.97323   107.97705  -172.24870
  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  12   5   4   3
  22   2   1   1  19  13   5   4  12   8  11   4   7   3   2   1
   3   2   1   1  10  13   5   2   1   1   8   3   5   9   3   2
   1   1   8   7   2   5   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    62    68    38    39    40    41    42    45    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    53    59    62    67    68    69    38    39    40    41    42    45    46    47    48    49    50    51    52  
   35    36  
   36  
    0  
   43    44    53    54    59    60    62    67    68    38    39    40    70    74    55    41    42    45    49  
   39    40    70    74    41    42    45    49    43    62    67    68    69  
   40    41    67    68    69  
   41    67    68    69  
   42    45    46    47    48    49    50    51    52    43    62    68  
   45    46    47    48    49    50    51    52  
   44    53    54    59    62    67    61    55    56    57    58  
   53    54    62    55  
   46    47    48    49    50    51    52  
   47    48    49  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    59    60    62    61    63    55    56    57    58  
   59    60    62    67    61    63    64    65    66    55    56    57    58  
   56    57    58    59    61  
   57    58  
   58  
    0  
   60    62    67    68    70    74    61    63  
   62    67    61  
   63    64    65    66    62  
   67    68    69    70    71    72    73    74    75  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    74  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   75  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    41   268.000  1.529
   37    43   469.000  1.400
   37    62   469.000  1.400
   43    44   367.000  1.080
   43    53   469.000  1.400
   53    54   469.000  1.400
   53    55   317.000  1.510
   54    59   469.000  1.400
   54    61   450.000  1.364
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    67   317.000  1.510
   67    68   317.000  1.522
   67    70   268.000  1.529
   67    74   320.000  1.410
   68    69   570.000  1.229
   68    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   553.000  0.945
   61    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    43    70.00000  120.00000
   33    37    62    70.00000  120.00000
   33    38    68    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   37    43    44    35.00000  120.00000
   37    43    53    63.00000  120.00000
   37    62    59    63.00000  120.00000
   37    62    67    70.00000  120.00000
   43    53    54    63.00000  120.00000
   43    53    55    70.00000  120.00000
   53    43    44    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    54    61    70.00000  120.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   54    59    60    35.00000  120.00000
   54    59    62    63.00000  120.00000
   54    61    63    75.00000  111.00000
   59    62    67    70.00000  120.00000
   62    37    43    63.00000  120.00000
   62    59    60    35.00000  120.00000
   62    67    68    70.00000  110.93000
   62    67    70    70.00000  112.17500
   62    67    74    90.00000  112.51600
   67    68    69    80.00000  120.40000
   67    68    38    70.00000  116.00000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    55.00000  108.50000
   68    38    39    35.00000  109.50000
   68    38    40    35.00000  109.50000
   38    33    37    70.00000  112.17500
   38    68    69    80.00000  120.40000
   40    38    39    33.00000  107.80000
   70    67    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    68    90.00000  109.61100
   74    67    70    50.00000  109.50000
   61    54    59    70.00000  120.00000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    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
   55    53    54    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   41    33    37    70.00000  112.17500
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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  -0.23050  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    62  -0.16000  1.0 1.0
   29    33    37    62  -0.03200 -1.0 2.0
   29    33    37    62   0.04500  1.0 3.0
   29    33    38    68   0.56750  1.0 1.0
   29    33    38    68  -0.07550 -1.0 2.0
   29    33    38    68   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   33    37    43    44   3.62500 -1.0 2.0
   33    37    43    53   3.62500 -1.0 2.0
   33    37    62    59   3.62500 -1.0 2.0
   33    37    62    67   3.62500 -1.0 2.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    52   0.15000  1.0 3.0
   37    33    38    68   0.56750  1.0 1.0
   37    33    38    68  -0.07550 -1.0 2.0
   37    33    38    68   0.20000  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    41    42   0.43200  1.0 3.0
   37    33    41    45  -0.03700  1.0 1.0
   37    33    41    45   0.37200 -1.0 2.0
   37    33    41    45  -0.47300  1.0 3.0
   37    33    41    49  -0.03700  1.0 1.0
   37    33    41    49   0.37200 -1.0 2.0
   37    33    41    49  -0.47300  1.0 3.0
   37    43    53    54   3.62500 -1.0 2.0
   37    43    53    55   3.62500 -1.0 2.0
   37    62   -67    68   0.04300 -1.0 2.0
   37    62    67    70   0.04150 -1.0 2.0
   37    62    67    74   0.14300 -1.0 2.0
   37    62    67    74   0.00300  1.0 3.0
   43    37    62    59   3.62500 -1.0 2.0
   43    37    62    67   3.62500 -1.0 2.0
   43    53   -54    59   3.62500 -1.0 2.0
   43    53    54    61   3.62500 -1.0 2.0
   43    53    55    56   0.00000  1.0 1.0
   43    53    55    57   0.00000  1.0 1.0
   43    53    55    58   0.00000  1.0 1.0
   44    43    53    54   3.62500 -1.0 2.0
   44    43    53    55   3.62500 -1.0 2.0
   53    54    59    60   3.62500 -1.0 2.0
   53    54    59    62   3.62500 -1.0 2.0
   53    54    61    63   1.63200 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    58   0.00000  1.0 1.0
   54    59   -62    37   3.62500 -1.0 2.0
   54    59    62    67   3.62500 -1.0 2.0
   54    61    63    64   0.08050  1.0 3.0
   54    61    63    65   0.08050  1.0 3.0
   54    61    63    66   0.08050  1.0 3.0
   59    54    61    63   1.63200 -1.0 2.0
   59    62    67    68   0.04300 -1.0 2.0
   59    62    67    70   0.04150 -1.0 2.0
   59    62    67    74   0.14300 -1.0 2.0
   59    62    67    74   0.00300  1.0 3.0
   60    59    62    37   3.62500 -1.0 2.0
   60    59    62    67   3.62500 -1.0 2.0
   62    37    43    44   3.62500 -1.0 2.0
   62    37   -43    53   3.62500 -1.0 2.0
   62    67    68    69   0.30150 -1.0 2.0
   62    67    68    38   0.65300  1.0 1.0
   62    67    68    38  -0.03850 -1.0 2.0
   62    67    68    38   0.33900  1.0 3.0
   62    67    70    71   0.43200  1.0 3.0
   62    67    70    72   0.43200  1.0 3.0
   62    67    70    73   0.43200  1.0 3.0
   62    67    74    75   0.31900  1.0 1.0
   62    67    74    75  -0.11800 -1.0 2.0
   62    67    74    75   0.38750  1.0 3.0
   67    68   -38    33   0.60050  1.0 1.0
   67    68   -38    33   0.05600 -1.0 2.0
   67    68   -38    33   0.26150  1.0 3.0
   67    68    38    39   0.00000  1.0 1.0
   67    68    38    40   0.00000  1.0 1.0
   68    67    70    71  -0.11250  1.0 3.0
   68    67    70    72  -0.11250  1.0 3.0
   68    67    70    73  -0.11250  1.0 3.0
   68    67    74    75   0.91850  1.0 1.0
   68    67    74    75   0.57950  1.0 3.0
   69    68    38    33   0.30150 -1.0 2.0
   69    68    38    39   0.00000  1.0 1.0
   69    68    38    40   0.00000  1.0 1.0
   38    33    37    43   0.04150 -1.0 2.0
   38    33   -37    62   0.04150 -1.0 2.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   70    67    68    69   0.30150 -1.0 2.0
   70    67    68    38   0.60050  1.0 1.0
   70    67    68    38   0.05600 -1.0 2.0
   70    67    68    38   0.26150  1.0 3.0
   70    67    74    75  -0.11600  1.0 1.0
   70    67    74    75  -0.09450 -1.0 2.0
   70    67    74    75   0.21250  1.0 3.0
   74    67    68    69   0.30150 -1.0 2.0
   74    67    68    38   0.55300  1.0 1.0
   74    67    68    38   1.25850 -1.0 2.0
   74    67    68    38  -0.23600  1.0 3.0
   74    67    70    71   0.23400  1.0 3.0
   74    67    70    72   0.23400  1.0 3.0
   74    67    70    73   0.23400  1.0 3.0
   61    54    59    60   3.62500 -1.0 2.0
   61    54    59    62   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   55    53    54    61   3.62500 -1.0 2.0
   41    33    37    43   0.04150 -1.0 2.0
   41    33    37    62   0.04150 -1.0 2.0
   41    33    38    68  -0.95700  1.0 1.0
   41    33    38    68  -0.18200 -1.0 2.0
   41    33    38    68   0.29450  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  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
   43    62    37    33   4.00000 -1.0 2.0
   53    44    43    37   1.10000 -1.0 2.0
   54    55    53    43   4.00000 -1.0 2.0
   59    61    54    53   4.00000 -1.0 2.0
   62    60    59    54   1.10000 -1.0 2.0
   59    67    62    37   4.00000 -1.0 2.0
   67    38    68    69  10.50000 -1.0 2.0
END
