* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    135    211     390
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02099   106.29793   -22.06154
    3     1 S   H    _H1_     3     1.02108    60.74306    80.62462
    4     1 S   H    _H2_     4     1.02141    51.45712  -123.21186
    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   _C17    36     1.80590    98.15393  -159.99310
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C4T  _C12    37     1.53248   108.56882    79.94139
   38    37 S   HC   _H29    38     1.09678   111.22857   -62.48778
   39    33 S   CT   _C15    67     1.53188   108.05915  -161.88125
   40    39 S   HC   _H34    68     1.09974   113.72455    62.11774
   41    39 S   HC   _H35    69     1.10037   113.23734   -58.88549
   42    39 S   HC   _H36    70     1.09973   112.04776  -178.12247
   43    33 S   CT   _C16    71     1.53600   110.64491   -40.99503
   44    43 S   HC   _H37    72     1.09572   111.27601   -39.96592
   45    43 S   HC   _H38    73     1.09635   110.40469    79.77757
   46    37 S   C4   _C6_    39     1.54489   114.59919    65.57255
   47    46 S   O    _O17    40     1.21029   135.81490   -67.99001
   48    37 S   C4T  _C13    47     1.55285   117.63584   164.68268
   49    48 S   HC   _H30    48     1.09717   113.50654    -3.46549
   50    43 S   OH   _O22    74     1.42401   111.47315  -160.90958
   51    50 S   HO   _H41    75     0.97028   106.67809  -179.97202
   52    46 S   N4   _N15    41     1.36435    91.03693   117.78075
   53    52 S   CM   _C4_    42     1.36663   125.31925   120.90860
   54    53 S   CM   _C5_    43     1.33856   111.52031  -109.13478
   55    53 S   C    _C9_    63     1.45872   120.12335    68.56532
   56    55 S   O    _O18    64     1.22112   124.79283  -147.36565
   57    54 S   CT   _C11    44     1.50532   110.81722     1.41208
   58    57 S   HC   _H27    45     1.09319   111.21405   114.58442
   59    57 S   HC   _H28    46     1.09513   110.61020  -124.20630
   60    54 S   SZ   _S24    49     1.76057   124.48730   179.31729
   61    60 S   OZ   _O20    50     1.50534   107.08708  -159.84968
   62    55 S   OH   _O21    65     1.35170   109.82294    32.69439
   63    62 S   HO   _H40    66     0.98088   112.24406   180.00000
   64    60 S   CM   _C8_    51     1.78654   100.09387    89.97114
   65    64 S   HC   _H26    52     1.08462   121.14760   -30.59885
   66    64 S   CM   _C7_    53     1.33788   118.16857   150.00431
   67    66 S   HC   _H25    54     1.08342   123.05860    -0.26319
   68    66 S   N    _N16    55     1.36093   122.38576   179.67675
   69    68 S   H    _H39    56     1.01719   118.18131     0.02798
   70    68 S   C    _C10    57     1.38842   123.68491   179.95154
   71    70 S   O    _O19    58     1.22851   126.03219     0.11191
   72    70 S   CT   _C14    59     1.50562   112.44070  -178.52488
   73    72 S   HC   _H31    60     1.09360   109.47157    90.03354
   74    72 S   HC   _H32    61     1.09412   109.26478   -29.77365
   75    72 S   HC   _H33    62     1.09455   111.07908  -150.31316
  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  13   5   4   3
  17   2   1   1  19   8   9   3   2   1   6   3   2   8   3   9
   6   1   1   9  11  11   5   2   5   2   1   6   3   1   1   6
   3   6   3   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    48    39    40    41    42    43    44    45    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    52    57    48    49    39    40    41    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    46    47    52    53    54    57    58    59    48    49    39    40    41    42    43    44    45    50  
   46    47    52    57    48    49    39    43  
   40    41    42    43    44    45    50    46    48  
   41    42    43  
   42    43  
   43  
   44    45    50    51    46    48  
   45    50    51  
   50    51  
   47    52    53    54    57    48    49    55  
   52    53    48  
   49    60    55    52    53    54    57    58    59  
   52    53    54    57    58    59  
   51  
    0  
   53    54    57    58    59    60    55    56    62  
   54    57    58    59    60    61    64    55    56    62    63  
   57    58    59    60    61    64    65    66    55    56    62  
   56    62    63    57    60  
   62    63  
   58    59    60    61    64  
   59    60  
   60  
   61    64    65    66    67    68  
   64    65    66  
   63  
    0  
   65    66    67    68    69    70  
   66    67    68  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.226300   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   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5600   0.3950   0.445000   2.0080   1.7800   0.025682759  -1.666211680
   61   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   62   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   260.000  1.519
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   250.000  1.540
   37    48   268.000  1.529
   46    47   930.000  1.212
   46    52   440.000  1.369
   52    53   400.000  1.384
   52    48   305.000  1.456
   53    54   549.000  1.340
   53    55   410.000  1.444
   54    57   317.000  1.510
   54    60   205.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    48   260.000  1.519
   48    49   340.000  1.090
   60    61   700.000  1.530
   60    64   205.000  1.810
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   340.000  1.080
   66    68   400.000  1.384
   68    69   434.000  1.010
   68    70   490.000  1.335
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   55    56   570.000  1.229
   55    62   450.000  1.364
   62    63   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    51   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    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  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    45.00000  112.72800
   33    37    46    63.00000  111.10000
   33    37    48    65.00000  119.52000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    50    50.00000  109.50000
   37    46    47    60.00000  136.58000
   37    46    52    95.00000   92.72400
   37    48    52   105.00000   87.49700
   37    48    57    65.00000  119.52000
   37    48    49    37.50000  110.70000
   46    37    38    40.00000  113.37500
   46    52    53    50.00000  132.10000
   46    52    48   100.00000   93.00000
   52    46    47    75.00000  131.60000
   52    53    54    75.00000  120.83300
   52    53    55    70.00000  117.92000
   52    48    57    80.00000  110.05700
   52    48    49    50.00000  112.01000
   53    54    57    70.00000  124.00000
   53    54    60    65.00000  118.19300
   53    55    56    80.00000  125.30000
   53    55    62    90.00000  111.55000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    48    70.00000  112.02700
   54    60    61   100.00000  107.42000
   54    60    64    80.00000   95.00000
   57    48    49    45.00000  112.72800
   59    57    58    33.00000  107.80000
   48    37    38    37.50000  110.70000
   48    37    46   100.00000   86.36000
   48    52    53    50.00000  132.70000
   48    57    58    45.00000  111.22300
   48    57    59    45.00000  111.22300
   60    54    57    70.00000  116.66000
   60    64    65    40.00000  114.00000
   60    64    66    65.00000  118.19300
   64    60    61   100.00000  107.42000
   64    66    67    35.00000  120.00000
   64    66    68    75.00000  120.83300
   66    64    65    35.00000  120.00000
   66    68    69    45.00000  117.55000
   66    68    70    70.00000  120.89900
   68    66    67    45.00000  111.09300
   68    70    71    80.00000  122.90000
   68    70    72    70.00000  116.60000
   70    68    69    35.00000  119.80000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   72    70    71    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   55    53    54    70.00000  118.70000
   55    62    63    35.00000  113.00000
   62    55    56   100.00000  123.32000
   39    33    37    70.00000  112.98000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.98000
   43    33    39    58.35000  112.70000
   43    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    37    48   0.44750  1.0 1.0
   29    33    37    48  -0.17800 -1.0 2.0
   29    33    37    48   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    52   1.39750  1.0 1.0
   33    37    46    52  -0.07950 -1.0 2.0
   33    37    46    52  -0.18750  1.0 3.0
   33    37   -48    52   0.43900  1.0 1.0
   33    37   -48    52   0.49100 -1.0 2.0
   33    37   -48    52   0.28400  1.0 3.0
   33    37    48    57   0.56750  1.0 1.0
   33    37    48    57  -0.07550 -1.0 2.0
   33    37    48    57   0.20000  1.0 3.0
   33    37    48    49   0.15000  1.0 3.0
   33    43    50    51  -0.11600  1.0 1.0
   33    43    50    51  -0.09450 -1.0 2.0
   33    43    50    51   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    50   0.86500  1.0 1.0
   37    33    43    50  -0.17500 -1.0 2.0
   37    33    43    50   0.20800  1.0 3.0
   37    46    52    53   3.00000 -1.0 2.0
   37    46   -52    48   3.00000 -1.0 2.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    52   0.00000  1.0 1.0
   38    37   -48    52   0.15000  1.0 3.0
   38    37    48    57   0.15000  1.0 3.0
   38    37    48    49   0.15000  1.0 3.0
   46    37   -48    52   3.00000 -1.0 2.0
   46    37    48    57  -0.95700  1.0 1.0
   46    37    48    57  -0.18200 -1.0 2.0
   46    37    48    57   0.29450  1.0 3.0
   46    37    48    49   0.15000  1.0 3.0
   46    52    53    54   0.00000  1.0 1.0
   46    52    53    55   0.00000  1.0 1.0
   46    52   -48    37   0.00000  1.0 1.0
   46    52   -48    57   0.00000  1.0 1.0
   46    52   -48    49   0.00000  1.0 1.0
   47    46    52    53   3.00000 -1.0 2.0
   47    46    52    48   3.00000 -1.0 2.0
   52    53   -54    57   7.00000 -1.0 2.0
   52    53    54    60   7.00000 -1.0 2.0
   52    53    55    56  -0.52200  1.0 1.0
   52    53    55    56   0.82950 -1.0 2.0
   52    53    55    62   1.50000 -1.0 2.0
   53    52   -48    37   0.00000  1.0 1.0
   53    52   -48    57   0.00000  1.0 1.0
   53    52    48    49   0.00000  1.0 1.0
   53    54    57    58   0.00000  1.0 1.0
   53    54    57    59   0.00000  1.0 1.0
   53    54   -57    48   0.09850  1.0 1.0
   53    54   -57    48   0.15250 -1.0 2.0
   53    54   -57    48  -0.50650  1.0 3.0
   53    54    60    61   1.00000 -1.0 2.0
   53    54    60    64   1.00000 -1.0 2.0
   53    55    62    63   1.22000  1.0 1.0
   53    55    62    63   0.17300 -1.0 2.0
   54    53    55    56   1.00000 -1.0 2.0
   54    53    55    62  -0.01000  1.0 1.0
   54    53    55    62   1.29850 -1.0 2.0
   54    53    55    62  -0.09550  1.0 3.0
   54    57    48    37   0.34400  1.0 1.0
   54    57    48    37   0.09450 -1.0 2.0
   54    57    48    37   0.11100  1.0 3.0
   54    57   -48    52   0.21700  1.0 1.0
   54    57   -48    52   0.68550 -1.0 2.0
   54    57   -48    52  -0.27950  1.0 3.0
   54    57    48    49   0.15000  1.0 3.0
   54    60    64    65   1.00000 -1.0 2.0
   54    60    64    66   1.00000 -1.0 2.0
   57    54    60    61   1.00000 -1.0 2.0
   57    54    60    64   1.00000 -1.0 2.0
   58    57    48    37   0.00000  1.0 1.0
   58    57    48    52   0.15000  1.0 3.0
   58    57    48    49   0.15000  1.0 3.0
   59    57    48    37   0.00000  1.0 1.0
   59    57    48    52   0.15000  1.0 3.0
   59    57    48    49   0.15000  1.0 3.0
   48    37   -46    47  -0.11250  1.0 1.0
   48    37   -46    47   0.11400 -1.0 2.0
   48    37   -46    47  -0.28950  1.0 3.0
   48    37   -46    52   3.00000 -1.0 2.0
   48    52   -53    54   0.00000  1.0 1.0
   48    52    53    55   0.00000  1.0 1.0
   60    54    57    58   0.00000  1.0 1.0
   60    54    57    59   0.00000  1.0 1.0
   60    54    57    48   0.09700  1.0 1.0
   60    54    57    48   0.15600 -1.0 2.0
   60    54    57    48  -0.50800  1.0 3.0
   60    64    66    67   7.00000 -1.0 2.0
   60    64    66    68   7.00000 -1.0 2.0
   61    60    64    65   1.00000 -1.0 2.0
   61    60    64    66   1.00000 -1.0 2.0
   64    66    68    69   0.78350 -1.0 2.0
   64    66    68    70  -0.18900  1.0 1.0
   64    66    68    70   1.70900 -1.0 2.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    68   7.00000 -1.0 2.0
   66    68    70    71   2.67200 -1.0 2.0
   66    68    70    72   0.67100  1.0 1.0
   66    68    70    72   1.42150 -1.0 2.0
   66    68    70    72   0.18700  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   1.44600  1.0 1.0
   68    70    72    73   0.00000  1.0 1.0
   68    70    72    74   0.00000  1.0 1.0
   68    70    72    75   0.00000  1.0 1.0
   69    68    70    71   2.45000 -1.0 2.0
   69    68    70    72   2.45000 -1.0 2.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.00000  1.0 1.0
   55    53    54    57   7.00000 -1.0 2.0
   55    53    54    60   7.00000 -1.0 2.0
   56    55    62    63   0.92200  1.0 1.0
   56    55    62    63   3.74100 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    37    48   0.04050  1.0 1.0
   39    33    37    48   0.63700 -1.0 2.0
   39    33    37    48   0.17650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    50   0.86500  1.0 1.0
   39    33    43    50  -0.17500 -1.0 2.0
   39    33    43    50   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46  -0.95700  1.0 1.0
   43    33    37    46  -0.18200 -1.0 2.0
   43    33    37    46   0.29450  1.0 3.0
   43    33    37    48   0.04050  1.0 1.0
   43    33    37    48   0.63700 -1.0 2.0
   43    33    37    48   0.17650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   45    43    50    51   0.19450  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
   37    52    46    47  10.50000 -1.0 2.0
   48    46    52    53   1.00000 -1.0 2.0
   52    55    53    54   1.10000 -1.0 2.0
   57    60    54    53   1.10000 -1.0 2.0
   60    65    64    66  15.00000 -1.0 2.0
   68    67    66    64  15.00000 -1.0 2.0
   69    70    68    66   1.00000 -1.0 2.0
   68    72    70    71  10.50000 -1.0 2.0
   53    62    55    56  10.50000 -1.0 2.0
END
