* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    109    166     323
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02048   103.70890   -37.60449
    3     1 S   H    _H1_     3     1.02082    70.47499    67.67828
    4     1 S   H    _H2_     4     1.02111    42.86709  -140.34876
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C12    36     1.80705    98.08808   -78.22159
   34    33 S   HC   _H3_    37     1.09486   107.65422   -80.04731
   35    33 S   HC   _H4_    38     1.09418   107.72219    36.19535
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C13    39     1.52674   111.12735   158.54023
   40    39 S   HC   _H25    40     1.09518   112.66546  -178.45833
   41    39 S   C    _C9_    41     1.51698   110.37747    59.60879
   42    41 S   O    _O13    42     1.22412   124.82660  -115.81698
   43    39 S   OS   _O16    45     1.42172   109.03709   -57.99300
   44    41 S   OH   _O15    43     1.35743   112.22543    65.16141
   45    44 S   HO   _H29    44     0.98071   115.16752   179.08743
   46    43 S   CT   _C11    46     1.43198   111.48121  -153.01280
   47    46 S   HC   _H22    47     1.09969   106.56602   -30.02442
   48    46 S   CM   _C6_    48     1.50662   107.97285  -144.94628
   49    48 S   HC   _H20    49     1.09002   116.94848    69.71414
   50    48 S   CM   _C7_    50     1.34129   122.54732  -112.00810
   51    50 S   CM   _C4_    51     1.43998   121.55272     0.87938
   52    51 S   HC   _H18    52     1.08627   118.61698   172.80290
   53    50 S   C    _C8_    60     1.46467   117.78538   179.55501
   54    53 S   O    _O33    61     1.21776   124.49769   -28.73415
   55    51 S   CM   _C5_    53     1.33931   121.37098    -6.27904
   56    55 S   HC   _H19    54     1.09078   118.58440   178.48122
   57    53 S   OH   _O14    62     1.34956   109.59054   151.36680
   58    57 S   HO   _H28    63     0.98052   111.98018   179.93744
   59    46 S   CT   _C10    55     1.55423   107.97094    89.47800
   60    59 S   HC   _H21    56     1.09651   109.59009   -12.05370
   61    59 S   NTH2 _N11    57     1.46878   109.73726  -128.93172
   62    61 S   H    _H26    58     0.99304   117.68202  -158.10540
   63    61 S   H    _H27    59     0.99294   117.65486    35.35273
  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
   9   5   4   2   1   1  10   5   5   3  10   1   1  13   7  11
   4   9   9   4   4   2   6   3   1   1   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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    43    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    45    43    46    47    48    59  
   41    42    44    43    46  
   42    44    45    43    46  
   44    45    43  
   46    47    48    49    50    55    59    60    61    44  
   45  
    0  
   47    48    49    50    51    55    56    59    60    61    62    63    53  
   48    49    50    55    59    60    61  
   49    50    51    52    55    59    60    61    53    54    57  
   50    51    59    53  
   51    52    55    56    59    53    54    57    58  
   52    55    56    59    60    61    53    54    57  
   55    56    59    53  
   54    57    58    55  
   57    58  
   56    59    60    61    62    63  
   59    60    61  
   58  
    0  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   320.000  1.410
   41    42   570.000  1.229
   41    44   450.000  1.364
   44    45   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   317.000  1.510
   46    59   268.000  1.529
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   380.000  1.444
   50    53   410.000  1.444
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    59   317.000  1.510
   59    60   340.000  1.090
   59    61   300.000  1.468
   61    62   495.000  1.019
   61    63   495.000  1.019
   53    54   570.000  1.229
   53    57   450.000  1.364
   57    58   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    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    50.00000  109.50000
   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    44    70.00000  108.00000
   39    43    46    60.00000  109.50000
   41    39    40    35.00000  109.50000
   41    44    45    35.00000  113.00000
   44    41    42   100.00000  123.32000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  108.55600
   43    46    47    35.00000  109.50000
   43    46    48    85.00000  110.90400
   43    46    59    50.00000  109.50000
   46    48    49    35.00000  117.00000
   46    48    50    70.00000  124.00000
   46    59    55    70.00000  112.02700
   46    59    60    37.50000  110.70000
   46    59    61    80.00000  112.76400
   48    46    47    35.00000  109.50000
   48    50    51    70.00000  123.01800
   48    50    53    70.00000  118.70000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    55    70.00000  123.01800
   50    53    54    80.00000  125.30000
   50    53    57    90.00000  111.55000
   51    55    56    35.00000  120.00000
   51    55    59    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    75.00000  110.70900
   59    46    47    37.50000  110.70000
   59    46    48    70.00000  112.02700
   59    55    56    35.00000  117.00000
   59    61    62    50.00000  110.30900
   59    61    63    50.00000  110.30900
   61    59    60    50.00000  110.79000
   63    61    62    40.00000  106.77200
   53    50    51    70.00000  118.70000
   53    57    58    35.00000  113.00000
   57    53    54   100.00000  123.32000
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    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    44   0.50000  1.0 1.0
   33    39    41    44   0.27300 -1.0 2.0
   33    39    41    44   0.22500  1.0 3.0
   33    39    43    46   0.06250  1.0 1.0
   33    39    43    46  -0.01100 -1.0 2.0
   33    39    43    46   0.28050  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    43   0.23400  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    43   0.23400  1.0 3.0
   39    41    44    45   1.50000  1.0 1.0
   39    41    44    45   2.45000 -1.0 2.0
   39    43    46    47   0.37050  1.0 3.0
   39    43    46    48  -0.77900  1.0 1.0
   39    43    46    48  -0.36900 -1.0 2.0
   39    43    46    48   0.40400  1.0 3.0
   39    43    46    59   0.06250  1.0 1.0
   39    43    46    59  -0.01100 -1.0 2.0
   39    43    46    59   0.28050  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    43    46   0.37050  1.0 3.0
   41    39    43    46  -1.11000  1.0 1.0
   41    39    43    46   0.50250 -1.0 2.0
   41    39    43    46   0.47450  1.0 3.0
   42    41    44    45   0.92200  1.0 1.0
   42    41    44    45   3.74100 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    44   0.40000  1.0 3.0
   43    46    48    49   0.00000  1.0 1.0
   43    46    48    50   0.39000  1.0 1.0
   43    46    48    50  -0.05800 -1.0 2.0
   43    46    48    50  -0.55150  1.0 3.0
   43    46    59    55   0.61850  1.0 1.0
   43    46    59    55  -0.22750 -1.0 2.0
   43    46    59    55   0.15300  1.0 3.0
   43    46    59    60   0.23400  1.0 3.0
   43    46    59    61   3.18800  1.0 1.0
   43    46    59    61  -1.12350 -1.0 2.0
   46    48    50    51   7.00000 -1.0 2.0
   46    48    50    53   7.00000 -1.0 2.0
   46    59    61    62   0.21650  1.0 1.0
   46    59    61    62   0.26250 -1.0 2.0
   46    59    61    62   0.12450  1.0 3.0
   46    59    61    63   0.21650  1.0 1.0
   46    59    61    63   0.26250 -1.0 2.0
   46    59    61    63   0.12450  1.0 3.0
   47    46    48    49   0.33100  1.0 3.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    59    55   0.15000  1.0 3.0
   47    46    59    60   0.15000  1.0 3.0
   47    46    59    61   0.15000  1.0 3.0
   48    46    59    55   0.31000  1.0 1.0
   48    46    59    55   0.14700 -1.0 2.0
   48    46    59    55   0.07550  1.0 3.0
   48    46    59    60   0.15000  1.0 3.0
   48    46    59    61   0.59950  1.0 1.0
   48    46    59    61  -0.21400 -1.0 2.0
   48    46    59    61   0.56200  1.0 3.0
   48    50    51    52  -0.18600  1.0 3.0
   48    50   -51    55   0.28850  1.0 1.0
   48    50   -51    55   2.61350 -1.0 2.0
   48    50   -51    55   0.78400  1.0 3.0
   48    50    53    54   1.00000 -1.0 2.0
   48    50    53    57  -0.01000  1.0 1.0
   48    50    53    57   1.29850 -1.0 2.0
   48    50    53    57  -0.09550  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    53   7.00000 -1.0 2.0
   50    51    55    56   7.00000 -1.0 2.0
   50    51    55    59   7.00000 -1.0 2.0
   50    53    57    58   1.22000  1.0 1.0
   50    53    57    58   0.17300 -1.0 2.0
   51    50    53    54   1.00000 -1.0 2.0
   51    50    53    57  -0.01000  1.0 1.0
   51    50    53    57   1.29850 -1.0 2.0
   51    50    53    57  -0.09550  1.0 3.0
   51    55   -59    46   0.09850  1.0 1.0
   51    55   -59    46   0.15250 -1.0 2.0
   51    55   -59    46  -0.50650  1.0 3.0
   51    55    59    60   0.00000  1.0 1.0
   51    55    59    61   0.90200  1.0 1.0
   51    55    59    61   0.57900 -1.0 2.0
   51    55    59    61  -0.62100  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    59   7.00000 -1.0 2.0
   55    59    61    62   0.12450  1.0 1.0
   55    59    61    62  -0.40750 -1.0 2.0
   55    59    61    62   0.30300  1.0 3.0
   55    59    61    63   0.12450  1.0 1.0
   55    59    61    63  -0.40750 -1.0 2.0
   55    59    61    63   0.30300  1.0 3.0
   56    55    59    46   0.00000  1.0 1.0
   56    55    59    60   0.33100  1.0 3.0
   56    55    59    61   0.00000  1.0 1.0
   59    46    48    49   0.00000  1.0 1.0
   59    46   -48    50   0.09850  1.0 1.0
   59    46   -48    50   0.15250 -1.0 2.0
   59    46   -48    50  -0.50650  1.0 3.0
   60    59    61    62   0.20000  1.0 3.0
   60    59    61    63   0.20000  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    55  -0.18600  1.0 3.0
   54    53    57    58   0.92200  1.0 1.0
   54    53    57    58   3.74100 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   46    49    48    50   1.10000 -1.0 2.0
   51    53    50    48   1.10000 -1.0 2.0
   50    52    51    55   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
END
