* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    119    175     346
    1     0 S   NP   _N1_     1    28.13738    96.35775   -22.65952
    2     1 S   H    _HN1     2     1.02957    78.71646    -6.19438
    3     1 S   H    _H1_     3     1.02835    33.42947   141.44791
    4     1 S   H    _H2_     4     1.02775   101.17008  -112.91796
    5     1 S   CT   _CA1     5     1.50138   139.21909   102.00541
    6     5 S   HC   _HA1     6     1.09574   105.20993    81.15193
    7     5 S   CO3  _C1_     7     1.53785   112.37646   -39.04345
    8     7 S   O2Z  _O11     8     1.26369   114.99029   -43.20682
    9     7 S   O2Z  _O12     9     1.26234   114.93383   135.87733
   10     5 S   CT   _CB1    10     1.53093   107.42185  -160.91455
   11    10 S   HC   HB11    11     1.09828   109.33777   -50.23578
   12    10 S   HC   HB12    12     1.09816   110.41811    66.32083
   13    10 S   CT   _CG1    13     1.53023   112.68608  -171.29539
   14    13 S   HC   HG11    14     1.09592   110.51327   -64.58162
   15    13 S   HC   HG12    15     1.09657   109.90691    54.63176
   16    13 S   C    _CD1    16     1.51840   112.29388   175.01304
   17    16 S   O    _OE1    17     1.22752   123.28875     1.32293
   18    16 S   N    _N2_    18     1.38548   111.72962  -178.75715
   19    18 S   H    _HN2    19     1.01570   119.04708     4.34316
   20    18 S   CT1  _CA2    20     1.45873   122.87115   177.88659
   21    20 S   HC   _HA2    21     1.09712   108.96661    24.14457
   22    20 S   C    _C2_    22     1.52868   106.73016   -93.14111
   23    22 S   O    _O2_    23     1.22999   122.91283   -30.53280
   24    20 S   CT   _CB2    32     1.53228   112.15506   147.37533
   25    24 S   HC   HB21    33     1.09434   109.50614    54.93776
   26    24 S   HC   HB22    34     1.09462   109.90844   173.67076
   27    22 S   N    _N3_    24     1.38460   112.66894   152.13418
   28    27 S   H    _HN3    25     1.01652   120.40638    -1.12848
   29    24 S   S    _SG2    35     1.83078   110.71267   -66.13824
   30    27 S   CT   _CA3    26     1.45360   122.42483   178.77108
   31    30 S   HC   HA31    27     1.09563   107.54911   -62.37194
   32    30 S   HC   HA32    28     1.09572   107.85676    53.94324
   33    29 S   CT   _C9_    36     1.86095   101.47099   172.47746
   34    30 S   CO3  _C3_    29     1.52888   114.39007   175.98049
   35    34 S   O2Z  _O31    30     1.26329   116.08483     1.63542
   36    34 S   O2Z  _O32    31     1.26451   114.39860  -178.33071
   37    33 S   CM   _C5_    37     1.50471   108.72293    61.62233
   38    37 S   HC   _H18    38     1.09042   116.65378    60.41145
   39    33 S   CT   _C12    51     1.55098   106.75491  -178.79797
   40    39 S   HC   _H25    52     1.09910   109.93379    59.08723
   41    39 S   HC   _H26    53     1.09938   109.92941   -57.81665
   42    37 S   CMA  _C6_    39     1.34666   125.04886  -120.81720
   43    42 S   OM   _O13    40     1.25894   130.52515  -179.10038
   44    39 S   CT   _C14    54     1.53867   114.23678  -179.43594
   45    44 S   HC   _H29    55     1.09591   110.16016    60.45659
   46    44 S   HC   _H30    56     1.09600   110.05998   -57.67143
   47    42 S   CM   _C4_    41     1.45765   118.17058     1.22253
   48    47 S   HC   _H17    42     1.09076   118.15619  -179.91153
   49    44 S   CT   _C15    57     1.53109   111.09267  -178.64954
   50    49 S   HC   _H31    58     1.09682   109.58451    58.71650
   51    49 S   HC   _H32    59     1.09681   109.57675   -58.59843
   52    47 S   CM   _C7_    43     1.34111   124.65452     1.19354
   53    49 S   CT   _C13    60     1.52852   111.30786  -179.95154
   54    53 S   HC   _H27    61     1.09623   109.86401   -58.84282
   55    53 S   HC   _H28    62     1.09622   109.86771    58.88306
   56    33 S   CO4  _C8_    44     1.53680   107.38672   -61.85542
   57    56 S   O    _O14    45     1.23267   121.93911   -61.13169
   58    52 S   OS   _O15    46     1.38211   121.22859  -179.39737
   59    53 S   CT   _C10    63     1.52032   111.49017  -179.97202
   60    59 S   HC   _H19    64     1.09468   111.00020   -60.26036
   61    59 S   HC   _H20    65     1.09469   111.00103    60.25858
   62    59 S   HC   _H21    66     1.09449   110.26157   180.00000
   63    58 S   CT   _C11    47     1.42641   110.54038  -103.48626
   64    63 S   HC   _H22    48     1.09397   107.89947   177.14247
   65    63 S   HC   _H23    49     1.09571   110.97879    58.85907
   66    63 S   HC   _H24    50     1.09475   111.48166   -64.37557
  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  11   5   4   3
  16   2   1   1  12   5  13   6   5   6   3  10   5   4   6   3
   9   5   4   7   6   5   4   3   1   4   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    56    57    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    52    56    57    58    39    40    41    44    45    46    49  
   35    36  
   36  
    0  
   38    42    43    47    48    52    56    57    39    40    41    44  
   42    43    47    56    39  
   40    41    44    45    46    49    50    51    53    42    52    56    57  
   41    44    45    46    49    56  
   44    45    46    49    56  
   43    47    48    52    56    58  
   47    48    52  
   45    46    49    50    51    53    54    55    59    56  
   46    49    50    51    53  
   49    50    51    53  
   48    52    56    57    58    63  
   52    56    58  
   50    51    53    54    55    59    60    61    62  
   51    53    54    55    59  
   53    54    55    59  
   56    57    58    63    64    65    66  
   54    55    59    60    61    62  
   55    59    60    61    62  
   59    60    61    62  
   57    58    63  
   58  
   63    64    65    66  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    56   320.000  1.462
   52    58   440.000  1.360
   56    57   570.000  1.229
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    56    52    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    47    48    40.00000  120.50800
   42    47    52    70.00000  117.34000
   47    42    43    65.00000  137.10300
   47    52    56    65.00000  118.96000
   47    52    58    80.00000  120.01400
   52    47    48    35.00000  120.00000
   52    56    57    80.00000  123.72100
   52    58    63    90.00000  111.18400
   56    33    37    70.00000  109.06800
   58    52    56    85.00000  116.28000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    56    63.00000  111.10000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    49    58.35000  112.70000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    53    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    56    52   0.65300  1.0 1.0
   29    33    56    52  -0.03850 -1.0 2.0
   29    33    56    52   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    49   0.56750  1.0 1.0
   33    39    44    49  -0.07550 -1.0 2.0
   33    39    44    49   0.20000  1.0 3.0
   37    33    56    52   0.65300  1.0 1.0
   37    33    56    52  -0.03850 -1.0 2.0
   37    33    56    52   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    47    48   7.00000 -1.0 2.0
   37    42   -47    52   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    47   7.00000 -1.0 2.0
   42    47    52    56   7.00000 -1.0 2.0
   42    47    52    58   7.00000 -1.0 2.0
   43    42    47    48   7.00000 -1.0 2.0
   43    42    47    52   7.00000 -1.0 2.0
   47    52   -56    33  -0.33500  1.0 1.0
   47    52   -56    33   1.06600 -1.0 2.0
   47    52   -56    33  -0.14000  1.0 3.0
   47    52    56    57   1.00000 -1.0 2.0
   47    52    58    63  -2.26850  1.0 1.0
   47    52    58    63   3.39050 -1.0 2.0
   48    47    52    56   7.00000 -1.0 2.0
   48    47    52    58   7.00000 -1.0 2.0
   52    58    63    64   0.08050  1.0 3.0
   52    58    63    65   0.08050  1.0 3.0
   52    58    63    66   0.08050  1.0 3.0
   56    33    37    38   0.00000  1.0 1.0
   56    33   -37    42  -0.51250  1.0 1.0
   56    33   -37    42  -0.88800 -1.0 2.0
   56    33   -37    42   0.08850  1.0 3.0
   56    33    39    40  -0.11250  1.0 3.0
   56    33    39    41  -0.11250  1.0 3.0
   56    33    39    44  -0.95700  1.0 1.0
   56    33    39    44  -0.18200 -1.0 2.0
   56    33    39    44   0.29450  1.0 3.0
   56    52    58    63   0.15100 -1.0 2.0
   58    52    56    33   0.32450 -1.0 2.0
   58    52    56    33   0.17400  1.0 3.0
   58    52    56    57  -0.11900  1.0 1.0
   58    52    56    57   0.76850 -1.0 2.0
   58    52    56    57   0.14100  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    56    52   0.65300  1.0 1.0
   39    33    56    52  -0.03850 -1.0 2.0
   39    33    56    52   0.33900  1.0 3.0
   39    33    56    57   0.30150 -1.0 2.0
   39    44    49    50   0.15000  1.0 3.0
   39    44    49    51   0.15000  1.0 3.0
   39    44    49    53   0.56750  1.0 1.0
   39    44    49    53  -0.07550 -1.0 2.0
   39    44    49    53   0.20000  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    49   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    46   0.15000  1.0 3.0
   41    39    44    49   0.15000  1.0 3.0
   44    49    53    54   0.15000  1.0 3.0
   44    49    53    55   0.15000  1.0 3.0
   44    49    53    59   0.56750  1.0 1.0
   44    49    53    59  -0.07550 -1.0 2.0
   44    49    53    59   0.20000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    53   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    53   0.15000  1.0 3.0
   49    53    59    60   0.15000  1.0 3.0
   49    53    59    61   0.15000  1.0 3.0
   49    53    59    62   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    59   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    59   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   0.15000  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    48    47    52   1.10000 -1.0 2.0
   56    58    52    47   1.10000 -1.0 2.0
   33    52    56    57  10.50000 -1.0 2.0
END
