* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    130    208     385
    1     0 S   NP   _N1_     1    28.93219    92.49422   -20.90739
    2     1 S   H    _HN1     2     1.02966   101.88361    31.54219
    3     1 S   H    _H1_     3     1.02831    21.48099   137.77655
    4     1 S   H    _H2_     4     1.02768    90.56557   -77.39696
    5     1 S   CT   _CA1     5     1.50182   130.71783   161.94647
    6     5 S   HC   _HA1     6     1.09572   105.18256    49.92810
    7     5 S   CO3  _C1_     7     1.53901   112.44898   -70.09135
    8     7 S   O2Z  _O11     8     1.26362   115.01398   -37.58734
    9     7 S   O2Z  _O12     9     1.26265   114.94387   141.28329
   10     5 S   CT   _CB1    10     1.53075   107.35604   167.86217
   11    10 S   HC   HB11    11     1.09820   109.45672   -49.26002
   12    10 S   HC   HB12    12     1.09802   110.24048    67.23232
   13    10 S   CT   _CG1    13     1.52983   112.77026  -170.35843
   14    13 S   HC   HG11    14     1.09562   110.31840   -61.06079
   15    13 S   HC   HG12    15     1.09626   110.15812    58.13347
   16    13 S   C    _CD1    16     1.51809   112.28387   178.47543
   17    16 S   O    _OE1    17     1.22719   123.29896   -10.06630
   18    16 S   N    _N2_    18     1.38618   111.60245   170.29190
   19    18 S   H    _HN2    19     1.01589   118.91327     2.28550
   20    18 S   CT1  _CA2    20     1.46217   123.50715  -175.69111
   21    20 S   HC   _HA2    21     1.09726   109.32929   -17.48263
   22    20 S   C    _C2_    22     1.53346   108.15378  -133.33152
   23    22 S   O    _O2_    23     1.23000   122.31968  -145.02825
   24    20 S   CT   _CB2    32     1.53558   111.33885   104.68714
   25    24 S   HC   HB21    33     1.09481   109.81758    56.47862
   26    24 S   HC   HB22    34     1.09543   110.37436   174.53650
   27    22 S   N    _N3_    24     1.38527   113.28475    42.25562
   28    27 S   H    _HN3    25     1.01536   118.92248    -0.43476
   29    24 S   S    _SG2    35     1.82802   111.67415   -66.59167
   30    27 S   CT   _CA3    26     1.45432   123.33762   175.14683
   31    30 S   HC   HA31    27     1.09530   109.11761    26.79702
   32    30 S   HC   HA32    28     1.09492   107.15939   143.78416
   33    29 S   S    _S2_    36     2.05444   103.21784   148.54559
   34    30 S   CO3  _C3_    29     1.52926   113.16545   -96.59044
   35    34 S   O2Z  _O31    30     1.26397   115.42527   -44.22743
   36    34 S   O2Z  _O32    31     1.26356   114.96533   136.70289
   37    33 S   CT   _C6_    37     1.86049   106.34578   -95.05652
   38    37 S   C    _C5_    38     1.52339   110.55153   -57.48766
   39    38 S   O    _O33    39     1.23487   120.14650    81.81213
   40    37 S   CT   _C7_    59     1.54219   112.32724    65.60771
   41    40 S   HC   _H8_    60     1.08942   114.73071   -39.65090
   42    40 S   HC   _H9_    61     1.09818   111.10174  -161.52468
   43    38 S   N    _N4_    40     1.39937   116.28988   -95.46102
   44    43 S   CT   _C15    41     1.49157   123.18541     9.06449
   45    44 S   SM   _S1_    42     1.86090   112.15291    86.19542
   46    43 S   CT   _C4_    67     1.46528   117.37445  -179.91844
   47    46 S   HC   _H5_    68     1.09248   109.49134   120.73609
   48    46 S   HC   _H6_    69     1.09332   112.00581     1.53544
   49    46 S   HC   _H7_    70     1.09334   109.52987  -118.41669
   50    44 S   C    _C14    43     1.54543   111.50581   -35.89138
   51    50 S   O    _O34    44     1.23367   121.62813  -157.18013
   52    44 S   CT   _C16    62     1.56096   112.48550  -155.73638
   53    52 S   HC   _H13    63     1.09680   112.49816   -59.98853
   54    52 S   HC   _H14    64     1.09788   112.19842   179.06518
   55    37 S   N    _N5_    45     1.46913   109.68385   179.03897
   56    52 S   OH   _O35    65     1.42955   110.22233    60.04647
   57    56 S   HO   _H15    66     0.97209   106.87229   178.21042
   58    55 S   CT   _C13    46     1.47159   112.48366   -96.24044
   59    58 S   HC   _H4_    47     1.09828   105.79103  -116.55646
   60    58 S   CM   _C8_    48     1.50947   101.63130    -2.00740
   61    60 S   CM   _C9_    49     1.33857   123.37599   147.65541
   62    61 S   HC   _H10    50     1.08432   121.73264  -175.07614
   63    61 S   CM   _C10    51     1.44171   119.83741    -0.59281
   64    63 S   HC   _H11    52     1.08459   118.02949   170.35235
   65    63 S   CM   _C11    53     1.34225   120.95757   -14.35565
   66    65 S   HC   _H12    54     1.08634   119.15681  -175.67292
   67    58 S   CT   _C12    55     1.54843   116.18884   120.74535
   68    67 S   HC   _H3_    56     1.09645   111.04070   -22.44189
   69    67 S   OH   _O36    57     1.42977   108.25586    95.96149
   70    69 S   HO   _H16    58     0.97225   107.38480  -161.98027
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  16  16   5  12   5   4  13  14   8   5   2   1
   1  10   3   5   3   2   8   1   1  11   6   8   6   3   6   3
   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    55    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    50    55    58    60    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    50    51    55    58    59    60    61    67    40    41    42    46  
   39    43    44    45    50    55    58    60    40    41    42    52    46    47    48    49  
   43    44    55    40    46  
   41    42    43    50    55    58    59    60    61    62    63    67  
   42    55    58    60    61  
   55    58    60    61  
   44    45    50    51    55    52    53    54    56    46    47    48    49  
   45    50    51    55    58    52    53    54    56    57    46    47    48    49  
   50    51    55    52    53    54    56    46  
   47    48    49    50    52  
   48    49  
   49  
    0  
   51    55    58    59    60    67    52    53    54    56  
   55    58    52  
   53    54    56    57    55  
   54    56    57  
   56    57  
   58    59    60    61    65    67    68    69  
   57  
    0  
   59    60    61    62    63    65    66    67    68    69    70  
   60    61    65    67    68    69  
   61    62    63    64    65    67    68    69  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70  
   67    68    69  
   68    69    70  
   69    70  
   70  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   45   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   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   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    55   337.000  1.449
   37    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   337.000  1.449
   43    46   337.000  1.449
   44    45   222.000  1.810
   44    50   317.000  1.522
   44    52   268.000  1.529
   50    51   570.000  1.229
   50    55   490.000  1.335
   55    58   337.000  1.449
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    67   268.000  1.529
   60    61   549.000  1.340
   60    40   317.000  1.510
   61    62   340.000  1.080
   61    63   380.000  1.444
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   320.000  1.410
   69    70   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   320.000  1.410
   56    57   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    55    80.00000  108.62000
   33    37    40    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    43    70.00000  116.60000
   37    55    50    50.00000  121.90000
   37    55    58    50.00000  118.00000
   37    40    60    70.00000  112.02700
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   38    43    44    50.00000  121.90000
   38    43    46    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    44    45    80.00000  108.62000
   43    44    50    75.00000  110.24000
   43    44    52    70.00000  110.72300
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   44    50    51    80.00000  120.40000
   44    50    55    70.00000  116.60000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    56    50.00000  109.50000
   50    44    45    70.00000  112.33000
   50    55    58    50.00000  121.90000
   55    37    38    75.00000  110.24000
   55    50    51    80.00000  122.90000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  110.78400
   55    58    67    70.00000  110.72300
   58    60    61    70.00000  124.00000
   58    60    40    65.00000  117.92700
   58    67    65    70.00000  112.02700
   58    67    68    37.50000  110.70000
   58    67    69    50.00000  109.50000
   60    58    59    35.00000  109.50000
   60    61    62    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    40    41    35.00000  109.50000
   60    40    42    35.00000  109.50000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  123.01800
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    90.00000  110.39200
   67    58    59    37.50000  110.70000
   67    58    60    70.00000  112.02700
   67    65    66    35.00000  117.00000
   67    69    70    55.00000  108.50000
   69    67    68    35.00000  109.50000
   40    37    38    63.00000  111.10000
   40    37    55    70.00000  110.72300
   40    60    61    70.00000  124.00000
   42    40    41    33.00000  107.80000
   52    44    45    75.00000  111.63000
   52    44    50    63.00000  111.10000
   52    56    57    55.00000  108.50000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   46    43    44    50.00000  118.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    55   0.00000  1.0 1.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    43   0.00000  1.0 1.0
   33    37    55    50  -0.42300  1.0 1.0
   33    37    55    50  -0.07000 -1.0 2.0
   33    37    55    50   0.04150  1.0 3.0
   33    37    55    58   0.17850 -1.0 2.0
   33    37    40    60   0.56750  1.0 1.0
   33    37    40    60  -0.07550 -1.0 2.0
   33    37    40    60   0.20000  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   37    38    43    44   1.49850  1.0 1.0
   37    38    43    44   1.53950 -1.0 2.0
   37    38    43    46   1.49850  1.0 1.0
   37    38    43    46   1.53950 -1.0 2.0
   37    55    58    59   0.00000  1.0 1.0
   37    55   -58    60   0.17850 -1.0 2.0
   37    55    58    67  -0.05900 -1.0 2.0
   38    37    55    50  -0.42300  1.0 1.0
   38    37    55    50  -0.07000 -1.0 2.0
   38    37    55    50   0.04150  1.0 3.0
   38    37    55    58   0.17850 -1.0 2.0
   38    37    40    60  -0.98800  1.0 1.0
   38    37    40    60   0.48800 -1.0 2.0
   38    37    40    60   0.76800  1.0 3.0
   38    37    40    41  -0.11250  1.0 3.0
   38    37    40    42  -0.11250  1.0 3.0
   38    43    44    45  -0.42300  1.0 1.0
   38    43    44    45  -0.07000 -1.0 2.0
   38    43    44    45   0.04150  1.0 3.0
   38    43   -44    50  -0.42300  1.0 1.0
   38    43   -44    50  -0.07000 -1.0 2.0
   38    43   -44    50   0.04150  1.0 3.0
   38    43    44    52  -0.43950  1.0 1.0
   38    43    44    52  -0.08100 -1.0 2.0
   38    43    44    52   0.03350  1.0 3.0
   38    43    46    47   0.00000  1.0 1.0
   38    43    46    48   0.00000  1.0 1.0
   38    43    46    49   0.00000  1.0 1.0
   39    38    43    44   3.04450 -1.0 2.0
   39    38    43    46   3.04450 -1.0 2.0
   43    44    50    51   0.30150 -1.0 2.0
   43    44    50    55   0.00000  1.0 1.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    54   0.15000  1.0 3.0
   43    44    52    56   2.76900  1.0 1.0
   43    44    52    56  -0.24350 -1.0 2.0
   43    44    52    56  -0.78250  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    49   0.00000  1.0 1.0
   44    50   -55    37   1.49850  1.0 1.0
   44    50   -55    37   1.53950 -1.0 2.0
   44    50    55    58   1.49850  1.0 1.0
   44    50    55    58   1.53950 -1.0 2.0
   44    52    56    57  -0.11600  1.0 1.0
   44    52    56    57  -0.09450 -1.0 2.0
   44    52    56    57   0.21250  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    55   0.00000  1.0 1.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    56   0.56750  1.0 1.0
   45    44    52    56  -0.07550 -1.0 2.0
   45    44    52    56   0.20000  1.0 3.0
   50    44    52    53  -0.11250  1.0 3.0
   50    44    52    54  -0.11250  1.0 3.0
   50    44    52    56  -0.09450  1.0 1.0
   50    44    52    56  -1.12950 -1.0 2.0
   50    44    52    56   0.54000  1.0 3.0
   50    55    58    59   0.00000  1.0 1.0
   50    55    58    60  -0.19250  1.0 1.0
   50    55    58    60  -0.00500 -1.0 2.0
   50    55    58    60   0.17000  1.0 3.0
   50    55    58    67  -0.43950  1.0 1.0
   50    55    58    67  -0.08100 -1.0 2.0
   50    55    58    67   0.03350  1.0 3.0
   51    50    55    37   3.04450 -1.0 2.0
   51    50    55    58   3.04450 -1.0 2.0
   55    37    38    39   0.30150 -1.0 2.0
   55    37   -38    43   0.00000  1.0 1.0
   55    37   -40    60   0.21700  1.0 1.0
   55    37   -40    60   0.68550 -1.0 2.0
   55    37   -40    60  -0.27950  1.0 3.0
   55    37    40    41   0.15000  1.0 3.0
   55    37    40    42   0.15000  1.0 3.0
   55    58    60    61   0.62150  1.0 1.0
   55    58    60    61   0.42850 -1.0 2.0
   55    58    60    61  -0.68200  1.0 3.0
   55    58   -60    40   0.09700  1.0 1.0
   55    58   -60    40   0.15600 -1.0 2.0
   55    58   -60    40  -0.50800  1.0 3.0
   55    58    67    65   0.21700  1.0 1.0
   55    58    67    65   0.68550 -1.0 2.0
   55    58    67    65  -0.27950  1.0 3.0
   55    58    67    68   0.15000  1.0 3.0
   55    58    67    69   2.76900  1.0 1.0
   55    58    67    69  -0.24350 -1.0 2.0
   55    58    67    69  -0.78250  1.0 3.0
   58    60    61    62   7.00000 -1.0 2.0
   58    60    61    63   7.00000 -1.0 2.0
   58    60   -40    37   0.46850  1.0 1.0
   58    60   -40    37   0.08550 -1.0 2.0
   58    60   -40    37   0.09800  1.0 3.0
   58    60    40    41   0.34800  1.0 3.0
   58    60    40    42   0.34800  1.0 3.0
   58    67    69    70  -0.11600  1.0 1.0
   58    67    69    70  -0.09450 -1.0 2.0
   58    67    69    70   0.21250  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    40   0.34800  1.0 3.0
   59    58    67    65   0.15000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.23400  1.0 3.0
   60    58    67    65   0.31000  1.0 1.0
   60    58    67    65   0.14700 -1.0 2.0
   60    58    67    65   0.07550  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   1.05650  1.0 1.0
   60    58    67    69   0.15600 -1.0 2.0
   60    58    67    69   0.53150  1.0 3.0
   60    61    63    64  -0.18600  1.0 3.0
   60    61   -63    65   0.28850  1.0 1.0
   60    61   -63    65   2.61350 -1.0 2.0
   60    61   -63    65   0.78400  1.0 3.0
   61    60    40    37   0.09850  1.0 1.0
   61    60    40    37   0.15250 -1.0 2.0
   61    60    40    37  -0.50650  1.0 3.0
   61    60    40    41   0.00000  1.0 1.0
   61    60    40    42   0.00000  1.0 1.0
   61    63    65    66   7.00000 -1.0 2.0
   61    63    65    67   7.00000 -1.0 2.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65  -0.18600  1.0 3.0
   63    65   -67    58   0.09850  1.0 1.0
   63    65   -67    58   0.15250 -1.0 2.0
   63    65   -67    58  -0.50650  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65    67    69   0.67800  1.0 1.0
   63    65    67    69   0.47050 -1.0 2.0
   63    65    67    69  -0.62500  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70  -0.07800  1.0 1.0
   65    67    69    70  -0.21500 -1.0 2.0
   65    67    69    70  -0.03150  1.0 3.0
   66    65    67    58   0.00000  1.0 1.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   67    58   -60    61   0.09850  1.0 1.0
   67    58   -60    61   0.15250 -1.0 2.0
   67    58   -60    61  -0.50650  1.0 3.0
   67    58    60    40   0.46850  1.0 1.0
   67    58    60    40   0.08550 -1.0 2.0
   67    58    60    40   0.09800  1.0 3.0
   68    67    69    70   0.19450  1.0 3.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37    38    43   1.39750  1.0 1.0
   40    37    38    43  -0.07950 -1.0 2.0
   40    37    38    43  -0.18750  1.0 3.0
   40    37    55    50  -0.43950  1.0 1.0
   40    37    55    50  -0.08100 -1.0 2.0
   40    37    55    50   0.03350  1.0 3.0
   40    37   -55    58  -0.05900 -1.0 2.0
   40    60    61    62   7.00000 -1.0 2.0
   40    60    61    63   7.00000 -1.0 2.0
   52    44    50    51   0.30150 -1.0 2.0
   52    44    50    55   1.39750  1.0 1.0
   52    44    50    55  -0.07950 -1.0 2.0
   52    44    50    55  -0.18750  1.0 3.0
   53    52    56    57   0.19450  1.0 3.0
   54    52    56    57   0.19450  1.0 3.0
   46    43    44    45   0.17850 -1.0 2.0
   46    43    44    50   0.17850 -1.0 2.0
   46    43    44    52  -0.05900 -1.0 2.0
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
   37    43    38    39  10.50000 -1.0 2.0
   46    38    43    44   1.00000 -1.0 2.0
   44    55    50    51  10.50000 -1.0 2.0
   58    50    55    37   1.00000 -1.0 2.0
   58    40    60    61   1.10000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   61    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
END
