* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    109    161     320
    1     0 S   NP   _N1_     1    29.22347    92.92784   -20.08359
    2     1 S   H    _HN1     2     1.02705    86.25680   -71.40403
    3     1 S   H    _H1_     3     1.03647   102.46661    35.43859
    4     1 S   H    _H2_     4     1.02860    25.17770   138.31465
    5     1 S   CT   _CA1     5     1.50260   132.68402   171.25237
    6     5 S   HC   _HA1     6     1.09714   104.46913    50.52966
    7     5 S   CO3  _C1_     7     1.54376   111.03193   -64.91408
    8     7 S   O2Z  _O11     8     1.26018   116.76769  -116.41078
    9     7 S   O2Z  _O12     9     1.26622   113.74830    62.97779
   10     5 S   CT   _CB1    10     1.53145   107.09309   166.09255
   11    10 S   HC   HB11    11     1.09821   109.56039   -44.46443
   12    10 S   HC   HB12    12     1.09778   110.43270    72.14682
   13    10 S   CT   _CG1    13     1.53121   112.37001  -165.32454
   14    13 S   HC   HG11    14     1.09485   110.57353   -61.08891
   15    13 S   HC   HG12    15     1.09643   110.14413    57.80434
   16    13 S   C    _CD1    16     1.51804   112.07241   177.31234
   17    16 S   O    _OE1    17     1.22782   123.03646   -20.74372
   18    16 S   N    _N2_    18     1.38708   111.99897   160.82212
   19    18 S   H    _HN2    19     1.01574   119.22236     0.06853
   20    18 S   CT1  _CA2    20     1.46082   123.08673  -178.72866
   21    20 S   HC   _HA2    21     1.09557   109.00233   -15.96237
   22    20 S   C    _C2_    22     1.53426   108.77401  -131.07428
   23    22 S   O    _O2_    23     1.23024   122.13644  -148.17775
   24    20 S   CT   _CB2    32     1.53606   111.95682   106.43551
   25    24 S   HC   HB21    33     1.09660   109.43968    63.88276
   26    24 S   HC   HB22    34     1.09575   110.87130  -178.89058
   27    22 S   N    _N3_    24     1.38489   113.42527    39.38140
   28    27 S   H    _HN3    25     1.01533   118.89142    -0.70165
   29    24 S   S    _SG2    35     1.82856   114.87248   -55.69204
   30    27 S   CT   _CA3    26     1.45445   123.43731   174.83479
   31    30 S   HC   HA31    27     1.09524   109.21502    24.86361
   32    30 S   HC   HA32    28     1.09494   107.13313   141.88478
   33    29 S   CT   _C9_    36     1.83173    99.94927   -70.84563
   34    33 S   HC   _H8_    37     1.09460   107.34393   -71.68838
   35    33 S   HC   _H9_    38     1.09180   108.36525    46.44769
   36    30 S   CO3  _C3_    29     1.52932   113.11345   -98.58086
   37    36 S   O2Z  _O31    30     1.26403   115.41349   -43.95535
   38    36 S   O2Z  _O32    31     1.26354   114.97469   136.95938
   39    33 S   CO   _C8_    39     1.53531   111.45218   167.40692
   40    39 S   CT   _C7_    40     1.53496   113.32932   177.54521
   41    40 S   HC   _H5_    41     1.09445   113.36451   -83.73038
   42    39 S   OH   _O34    60     1.42998   110.75239    56.91373
   43    42 S   HO   _H10    61     0.97298   106.85421   -40.27727
   44    40 S   CT   _C6_    42     1.51999   100.85038   156.67328
   45    44 S   HC   _H4_    43     1.09712   109.65737    78.50745
   46    40 S   OH   _O35    58     1.42605   111.94426    38.40163
   47    46 S   HO   _H11    59     0.97218   108.74203    58.59457
   48    44 S   CT   _C5_    44     1.52291   102.13254   -39.25920
   49    48 S   HC   _H3_    45     1.09698   111.49170   -87.01285
   50    44 S   OH   _O36    56     1.41395   112.53561  -160.42971
   51    50 S   HO   _H12    57     0.97236   107.75316   176.33200
   52    39 S   OS   _O33    46     1.44284   110.29823   -65.18810
   53    48 S   CT   _C4_    47     1.52306   112.91983   149.57107
   54    53 S   HC   _H6_    48     1.09440   110.58296    51.17914
   55    53 S   HC   _H7_    49     1.09488   110.97798   -70.39860
   56    53 S   OS   _O37    50     1.42481   108.69454   171.03373
   57    56 S   P2   _P1_    51     1.63155   118.68402  -165.23051
   58    57 S   O2Z  _O40    52     1.51197   108.37296  -176.97101
   59    57 S   O2Z  _O38    53     1.51075   109.92475   -42.55133
   60    57 S   OS   _O39    54     1.63083    99.23670    70.82597
   61    60 S   HO   _H13    55     0.97882   116.21485   176.40082
  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  13   8   5   1  12   7   4   1   9
   6   3   1   4   7   3   2   5   4   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    52    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    52    46    42    43  
   35    39    40    52    42  
   39    40    52    42  
   37    38  
   38  
    0  
   40    41    44    45    48    49    52    53    50    46    47    42    43  
   41    44    45    48    49    52    53    50    51    46    47    42    43  
   44    45    48    52    50    46    47    42  
   43    44    46    48    52  
   52  
   45    48    49    52    53    54    55    56    50    51    46    47  
   48    49    52    53    50    51    46  
   47    48    50    52  
    0  
   49    52    53    54    55    56    57    50    51  
   52    53    54    55    56    50  
   51    52    53  
    0  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   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    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   250.000  1.527
   39    40   250.000  1.527
   39    52   320.000  1.380
   39    42   380.000  1.407
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   320.000  1.410
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   320.000  1.410
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   553.000  0.945
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    65.00000  112.71400
   33    39    52    90.00000  108.56700
   33    39    42    90.00000  110.19100
   35    33    34    33.00000  107.80000
   39    33    34    45.00000  108.72000
   39    33    35    45.00000  108.72000
   39    40    41    45.00000  108.72000
   39    40    44    75.00000  109.43000
   39    40    46    90.00000  111.58700
   39    52    48    60.00000  109.50000
   39    42    43    70.00000  107.92000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   44    48    53    58.35000  112.70000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    50.00000  109.50000
   52    39    40    90.00000  108.56700
   52    48    49    35.00000  109.50000
   53    48    49    37.50000  110.70000
   53    48    52    50.00000  109.50000
   53    56    57   100.00000  120.50000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    39    40    90.00000  110.19100
   42    39    52   110.00000  112.08000
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   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    46   0.86500  1.0 1.0
   33    39    40    46  -0.17500 -1.0 2.0
   33    39    40    46   0.20800  1.0 3.0
   33    39    52    48   0.06250  1.0 1.0
   33    39    52    48  -0.01100 -1.0 2.0
   33    39    52    48   0.28050  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    48   3.97050  1.0 1.0
   39    40    44    50   0.86500  1.0 1.0
   39    40    44    50  -0.17500 -1.0 2.0
   39    40    44    50   0.20800  1.0 3.0
   39    40    46    47  -0.11600  1.0 1.0
   39    40    46    47  -0.09450 -1.0 2.0
   39    40    46    47   0.21250  1.0 3.0
   40    39   -52    48   0.06250  1.0 1.0
   40    39   -52    48  -0.01100 -1.0 2.0
   40    39   -52    48   0.28050  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44   -48    52   0.62750  1.0 1.0
   40    44   -48    52  -0.30950 -1.0 2.0
   40    44   -48    52   0.27300  1.0 3.0
   40    44    48    53   0.56750  1.0 1.0
   40    44    48    53  -0.07550 -1.0 2.0
   40    44    48    53   0.20000  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    39   0.06250  1.0 1.0
   44    48   -52    39  -0.01100 -1.0 2.0
   44    48   -52    39   0.28050  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    56   0.62750  1.0 1.0
   44    48    53    56  -0.30950 -1.0 2.0
   44    48    53    56   0.27300  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    53    56    57  -2.65550  1.0 1.0
   48    53    56    57  -0.22350 -1.0 2.0
   48    53    56    57   0.24150  1.0 3.0
   49    48    52    39   0.37050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.23400  1.0 3.0
   52    39    40    41   0.23400  1.0 3.0
   52    39   -40    44   0.62750  1.0 1.0
   52    39   -40    44  -0.30950 -1.0 2.0
   52    39   -40    44   0.27300  1.0 3.0
   52    39    40    46   3.69350  1.0 1.0
   52    39    40    46  -1.82950 -1.0 2.0
   52    39    42    43  -0.50000  1.0 1.0
   52    39    42    43  -0.73950 -1.0 2.0
   52    39    42    43   0.17150  1.0 3.0
   52    48    53    54   0.23400  1.0 3.0
   52    48    53    55   0.23400  1.0 3.0
   52    48    53    56   1.11900  1.0 1.0
   52    48    53    56  -1.16350 -1.0 2.0
   52    48    53    56  -0.34150  1.0 3.0
   53    48    52    39   0.06250  1.0 1.0
   53    48    52    39  -0.01100 -1.0 2.0
   53    48    52    39   0.28050  1.0 3.0
   53    56    57    58   0.00000  1.0 1.0
   53    56    57    59   0.00000  1.0 1.0
   53    56    57    60   0.05050  1.0 1.0
   53    56    57    60  -1.30700 -1.0 2.0
   53    56    57    60   0.91550  1.0 3.0
   54    53    56    57   0.03000  1.0 3.0
   55    53    56    57   0.03000  1.0 3.0
   56    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   3.69350  1.0 1.0
   50    44    48    52  -1.82950 -1.0 2.0
   50    44    48    53   0.86500  1.0 1.0
   50    44    48    53  -0.17500 -1.0 2.0
   50    44    48    53   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    46   3.75450  1.0 1.0
   42    39    52    48  -0.70900  1.0 1.0
   42    39    52    48  -1.18000 -1.0 2.0
   42    39    52    48   0.91650  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
END
