* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    147    233     441
    1     0 S   NP   _N1_     1    30.10048    90.60047   -24.50194
    2     1 S   H    _HN1     2     1.02786    99.55507  -107.28927
    3     1 S   H    _H1_     3     1.02956   111.06900     6.65782
    4     1 S   H    _H2_     4     1.02840     8.29512    69.27773
    5     1 S   CT   _CA1     5     1.50103   114.65110   132.77383
    6     5 S   HC   _HA1     6     1.09562   105.34045    51.47109
    7     5 S   CO3  _C1_     7     1.53824   112.17670   -69.02984
    8     7 S   O2Z  _O11     8     1.26376   115.01454   -48.51359
    9     7 S   O2Z  _O12     9     1.26224   114.89310   130.67458
   10     5 S   CT   _CB1    10     1.53030   107.42306   169.53048
   11    10 S   HC   HB11    11     1.09826   109.60852   -49.53934
   12    10 S   HC   HB12    12     1.09796   110.20810    66.97270
   13    10 S   CT   _CG1    13     1.53084   112.73320  -170.67538
   14    13 S   HC   HG11    14     1.09585   110.50845   -58.76077
   15    13 S   HC   HG12    15     1.09612   110.14696    60.64908
   16    13 S   C    _CD1    16     1.51697   111.83967  -178.90389
   17    16 S   O    _OE1    17     1.22764   123.10333    -5.69505
   18    16 S   N    _N2_    18     1.38657   112.07614   174.10482
   19    18 S   H    _HN2    19     1.01574   119.23814     4.78045
   20    18 S   CT1  _CA2    20     1.46092   122.99735  -175.95649
   21    20 S   HC   _HA2    21     1.09650   109.07324     6.29423
   22    20 S   C    _C2_    22     1.53544   109.76829  -109.22787
   23    22 S   O    _O2_    23     1.23086   121.85811  -148.20574
   24    20 S   CT   _CB2    32     1.53580   111.96235   127.69402
   25    24 S   HC   HB21    33     1.09664   109.57540    70.91128
   26    24 S   HC   HB22    34     1.09596   110.30456  -172.27905
   27    22 S   N    _N3_    24     1.38382   113.92133    39.29912
   28    27 S   H    _HN3    25     1.01449   119.13560    -0.14265
   29    24 S   S    _SG2    35     1.82989   115.98987   -48.98923
   30    27 S   CT   _CA3    26     1.45462   123.37103   175.12199
   31    30 S   HC   HA31    27     1.09526   109.20614    25.61908
   32    30 S   HC   HA32    28     1.09495   107.13504   142.61724
   33    29 S   CT   _C18    36     1.82482   100.54775   -56.70182
   34    33 S   HC   _H22    37     1.09505   108.83669   -56.94412
   35    33 S   HC   _H23    38     1.09136   108.17429    60.82206
   36    30 S   CO3  _C3_    29     1.52926   113.11021   -97.83635
   37    36 S   O2Z  _O31    30     1.26403   115.39919   -44.68202
   38    36 S   O2Z  _O32    31     1.26356   114.98578   136.24339
   39    33 S   CT   _C16    39     1.52912   110.19620  -179.32334
   40    39 S   HC   _H7_    40     1.09786   112.52714   -33.57970
   41    39 S   CO4  _C17    41     1.51370   112.84111    89.14397
   42    41 S   O    _O35    42     1.22076   126.39301   -40.73611
   43    41 S   OS   _O36    43     1.37006   109.53467   140.19845
   44    43 S   CT   _C7_    44     1.43415   108.97859     4.34339
   45    44 S   HC   _H4_    45     1.09849   106.82028    90.31206
   46    44 S   CT   _C6_    46     1.52042   109.86759  -151.88048
   47    46 S   HC   _H11    47     1.09855   109.87635    51.85205
   48    46 S   HC   _H12    48     1.09873   107.20719   -61.22471
   49    39 S   CT   _C8_    66     1.53247   111.97902  -157.85244
   50    49 S   HC   _H5_    67     1.09784   108.32537   -39.19728
   51    46 S   CT   _C5_    49     1.54713   114.64981   176.69015
   52    51 S   HC   _H3_    50     1.09626   108.43185    50.31213
   53    51 S   CT   _C11    51     1.56317   110.93492   -70.12243
   54    53 S   HC   _H6_    52     1.10048   106.39826   -29.48279
   55    51 S   CT   _C4_    72     1.53690   107.23059   164.93393
   56    55 S   HC   _H8_    73     1.09514   111.44636    64.12732
   57    55 S   HC   _H9_    74     1.09596   110.69730   -55.62624
   58    55 S   HC   _H10    75     1.09422   111.50539  -174.05611
   59    53 S   CT   _C12    53     1.53339   114.52574  -144.08965
   60    59 S   HC   _H15    54     1.09668   108.98716    63.28039
   61    59 S   HC   _H16    55     1.09532   111.18762   -55.54898
   62    59 S   CO4  _C13    56     1.50802   115.15220  -178.03666
   63    62 S   O    _O33    57     1.22963   120.76405  -160.68625
   64    62 S   OS   _O34    58     1.34985   118.11498    23.79071
   65    64 S   CT   _C14    59     1.44173   123.63675   -15.67725
   66    65 S   HC   _H17    60     1.09647   107.16598   -91.18650
   67    65 S   HC   _H18    61     1.09551   106.17307   154.94880
   68    53 S   CT   _C10    62     1.55895   114.50985    88.90500
   69    68 S   CT   _C9_    63     1.55527   115.34386   -49.22092
   70    69 S   HC   _H13    64     1.09815   108.64082  -152.34137
   71    69 S   HC   _H14    65     1.09899   109.39816    94.10771
   72    68 S   CT   _C15    68     1.55087   112.66309    73.58922
   73    72 S   HC   _H19    69     1.09378   113.11030    62.36958
   74    72 S   HC   _H20    70     1.09465   111.44969   -59.10795
   75    72 S   HC   _H21    71     1.09703   110.58157  -178.39185
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   9   4  15   8  22   9   5   2   1   1   9   5   4   6   2   6
  10   4   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    68    69    70    71    49    50  
   41    42    43    44    69    49    50  
   42    43    44    45    46    69    49    50  
   43    44    49  
   44    45    46    47    48    51    69    49    50  
   45    46    47    48    51    52    53    68    69    70    71    49    50    55  
   46    47    48    51    69    49    50  
   47    48    51    52    53    54    59    68    69    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    72    51    53    65    68    69    70    71  
   68    69    70    71  
   52    53    54    59    60    61    62    65    68    69    72    55    56    57    58  
   53    54    59    68    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    68    69    70    71    72    73    74    75    55    56    57    58  
   59    60    61    62    65    68    69    72    55  
   56    57    58    59    68  
   57    58  
   58  
    0  
   60    61    62    63    64    65    68    69    72  
   61    62    63    64    68  
   62    63    64    68  
   63    64    65    66    67    68  
   64    65  
   65    66    67    68    69    72  
   66    67    68    69    70    71    72    73    74    75  
   67    68    69    72  
   68    69    72  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    68   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    64   214.000  1.327
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   268.000  1.529
   68    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    49   268.000  1.529
   49    50   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    69    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    69    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    58.35000  112.70000
   51    53    68    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    63.00000  111.10000
   53    68    65    58.35000  112.70000
   53    68    69    58.35000  112.70000
   53    68    72    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    64    81.00000  111.40000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    83.00000  116.90000
   64    62    63    83.00000  123.40000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    50.00000  109.50000
   65    68    69    58.35000  112.70000
   65    68    72    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    53    54    37.50000  110.70000
   68    53    59    58.35000  112.70000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    49    58.35000  112.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    37.50000  110.70000
   69    49    50    37.50000  110.70000
   71    69    70    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    69    70    37.50000  110.70000
   49    69    71    37.50000  110.70000
   72    68    69    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    69   0.56750  1.0 1.0
   33    39    49    69  -0.07550 -1.0 2.0
   33    39    49    69   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    69   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    69  -0.95700  1.0 1.0
   41    39    49    69  -0.18200 -1.0 2.0
   41    39    49    69   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    69   0.62750  1.0 1.0
   43    44    49    69  -0.30950 -1.0 2.0
   43    44    49    69   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    69   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    69   0.56750  1.0 1.0
   46    44    49    69  -0.07550 -1.0 2.0
   46    44    49    69   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.56750  1.0 1.0
   46    51    53    59  -0.07550 -1.0 2.0
   46    51    53    59   0.20000  1.0 3.0
   46    51    53    68   0.56750  1.0 1.0
   46    51    53    68  -0.07550 -1.0 2.0
   46    51    53    68   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    61   0.15000  1.0 3.0
   51    53    59    62  -0.95700  1.0 1.0
   51    53    59    62  -0.18200 -1.0 2.0
   51    53    59    62   0.29450  1.0 3.0
   51    53    68    65   0.56750  1.0 1.0
   51    53    68    65  -0.07550 -1.0 2.0
   51    53    68    65   0.20000  1.0 3.0
   51    53    68    69   0.56750  1.0 1.0
   51    53    68    69  -0.07550 -1.0 2.0
   51    53    68    69   0.20000  1.0 3.0
   51    53    68    72   0.56750  1.0 1.0
   51    53    68    72  -0.07550 -1.0 2.0
   51    53    68    72   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    68   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    62    63   0.30150 -1.0 2.0
   53    59    62    64   0.36750  1.0 3.0
   53    68    69    70   0.15000  1.0 3.0
   53    68    69    71   0.15000  1.0 3.0
   53    68    69    49   0.56750  1.0 1.0
   53    68    69    49  -0.07550 -1.0 2.0
   53    68    69    49   0.20000  1.0 3.0
   53    68    72    73   0.15000  1.0 3.0
   53    68    72    74   0.15000  1.0 3.0
   53    68    72    75   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62  -0.11250  1.0 3.0
   54    53    68    65   0.15000  1.0 3.0
   54    53    68    69   0.15000  1.0 3.0
   54    53    68    72   0.15000  1.0 3.0
   59    53    68    65   0.56750  1.0 1.0
   59    53    68    65  -0.07550 -1.0 2.0
   59    53    68    65   0.20000  1.0 3.0
   59    53    68    69   0.56750  1.0 1.0
   59    53    68    69  -0.07550 -1.0 2.0
   59    53    68    69   0.20000  1.0 3.0
   59    53    68    72   0.56750  1.0 1.0
   59    53    68    72  -0.07550 -1.0 2.0
   59    53    68    72   0.20000  1.0 3.0
   59    62   -64    65   1.63150  1.0 1.0
   59    62   -64    65   2.92000 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    66   0.08050  1.0 3.0
   62    64    65    67   0.08050  1.0 3.0
   62    64    65    68  -0.25900  1.0 1.0
   62    64    65    68  -0.47000 -1.0 2.0
   62    64    65    68   0.11750  1.0 3.0
   63    62    64    65   3.00000 -1.0 2.0
   64    65   -68    53   0.62750  1.0 1.0
   64    65   -68    53  -0.30950 -1.0 2.0
   64    65   -68    53   0.27300  1.0 3.0
   64    65    68    69   0.62750  1.0 1.0
   64    65    68    69  -0.30950 -1.0 2.0
   64    65    68    69   0.27300  1.0 3.0
   64    65    68    72   0.62750  1.0 1.0
   64    65    68    72  -0.30950 -1.0 2.0
   64    65    68    72   0.27300  1.0 3.0
   65    68    69    70   0.15000  1.0 3.0
   65    68    69    71   0.15000  1.0 3.0
   65    68    69    49   0.56750  1.0 1.0
   65    68    69    49  -0.07550 -1.0 2.0
   65    68    69    49   0.20000  1.0 3.0
   65    68    72    73   0.15000  1.0 3.0
   65    68    72    74   0.15000  1.0 3.0
   65    68    72    75   0.15000  1.0 3.0
   66    65    68    53   0.15000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    72   0.15000  1.0 3.0
   67    65    68    53   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    72   0.15000  1.0 3.0
   68    53    59    60   0.15000  1.0 3.0
   68    53    59    61   0.15000  1.0 3.0
   68    53   -59    62  -0.95700  1.0 1.0
   68    53   -59    62  -0.18200 -1.0 2.0
   68    53   -59    62   0.29450  1.0 3.0
   68    69    49    39   0.56750  1.0 1.0
   68    69    49    39  -0.07550 -1.0 2.0
   68    69    49    39   0.20000  1.0 3.0
   68    69    49    44   0.56750  1.0 1.0
   68    69    49    44  -0.07550 -1.0 2.0
   68    69    49    44   0.20000  1.0 3.0
   68    69    49    50   0.15000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   70    69    49    39   0.15000  1.0 3.0
   70    69    49    44   0.15000  1.0 3.0
   70    69    49    50   0.15000  1.0 3.0
   71    69    49    39   0.15000  1.0 3.0
   71    69    49    44   0.15000  1.0 3.0
   71    69    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   72    68    69    70   0.15000  1.0 3.0
   72    68    69    71   0.15000  1.0 3.0
   72    68    69    49   0.56750  1.0 1.0
   72    68    69    49  -0.07550 -1.0 2.0
   72    68    69    49   0.20000  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.56750  1.0 1.0
   55    51    53    59  -0.07550 -1.0 2.0
   55    51    53    59   0.20000  1.0 3.0
   55    51    53    68   0.56750  1.0 1.0
   55    51    53    68  -0.07550 -1.0 2.0
   55    51    53    68   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
END
