* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    131    214     392
    1     0 S   NP   _N1_     1    29.18693    91.48507   -20.73715
    2     1 S   H    _HN1     2     1.02781    85.79074   -96.55093
    3     1 S   H    _H1_     3     1.02960   106.68095    11.36240
    4     1 S   H    _H2_     4     1.02841    23.91660   105.72468
    5     1 S   CT   _CA1     5     1.50142   129.81857   147.72526
    6     5 S   HC   _HA1     6     1.09560   105.23748    42.32249
    7     5 S   CO3  _C1_     7     1.53894   112.45434   -77.98125
    8     7 S   O2Z  _O11     8     1.26374   114.99598   -38.99024
    9     7 S   O2Z  _O12     9     1.26231   115.03153   140.33042
   10     5 S   CT   _CB1    10     1.53145   107.44427   160.49576
   11    10 S   HC   HB11    11     1.09817   109.64558   -47.57095
   12    10 S   HC   HB12    12     1.09825   110.25449    69.11004
   13    10 S   CT   _CG1    13     1.52985   112.61863  -168.58178
   14    13 S   HC   HG11    14     1.09514   110.34305   -59.73141
   15    13 S   HC   HG12    15     1.09633   110.07296    59.37882
   16    13 S   C    _CD1    16     1.51837   112.39798   179.87333
   17    16 S   O    _OE1    17     1.22698   123.27476    -7.03801
   18    16 S   N    _N2_    18     1.38600   111.53690   173.04921
   19    18 S   H    _HN2    19     1.01586   118.94307     2.19205
   20    18 S   CT1  _CA2    20     1.46265   123.61976  -176.68194
   21    20 S   HC   _HA2    21     1.09722   109.45383   -12.83191
   22    20 S   C    _C2_    22     1.53388   108.19013  -128.61098
   23    22 S   O    _O2_    23     1.23004   122.29834  -145.09285
   24    20 S   CT   _CB2    32     1.53473   111.09016   109.34831
   25    24 S   HC   HB21    33     1.09511   109.63756    53.83458
   26    24 S   HC   HB22    34     1.09501   110.80493   172.47079
   27    22 S   N    _N3_    24     1.38524   113.31923    42.22888
   28    27 S   H    _HN3    25     1.01527   118.91523    -0.53449
   29    24 S   S    _SG2    35     1.82854   111.68722   -68.22310
   30    27 S   CT   _CA3    26     1.45455   123.45671   175.12504
   31    30 S   HC   HA31    27     1.09522   109.24910    24.10258
   32    30 S   HC   HA32    28     1.09496   107.11520   141.11253
   33    29 S   CT   _C13    36     1.85893    99.85169   154.01601
   34    33 S   HC   _H3_    37     1.09700   106.83178    22.45528
   35    30 S   CO3  _C3_    29     1.52928   113.11858   -99.38224
   36    35 S   O2Z  _O31    30     1.26401   115.40876   -44.15352
   37    35 S   O2Z  _O32    31     1.26356   114.97884   136.77957
   38    33 S   CM   _C4_    38     1.50613   104.56745   135.79066
   39    38 S   HC   _H20    39     1.09156   115.07448   -67.02397
   40    38 S   CMA  _C5_    40     1.34959   127.20889   112.53258
   41    40 S   OM   _O16    41     1.26290   127.44323  -178.08787
   42    40 S   CM   _C6_    42     1.49605   118.90844     0.78484
   43    42 S   CT   _C14    43     1.55041   115.55556   -16.61179
   44    43 S   HC   _H30    44     1.10083   105.92555   -71.11369
   45    42 S   CM   _C9_    67     1.35294   122.86214   161.97331
   46    45 S   HC   _H21    68     1.08251   123.19468  -179.58222
   47    45 S   HC   _H22    69     1.08585   122.53188    -0.05935
   48    43 S   CT   _C11    45     1.54801   114.43190   173.01922
   49    48 S   HC   _H25    46     1.09828   109.61571   -55.95102
   50    48 S   HC   _H26    47     1.09884   109.41877    59.71411
   51    33 S   CT   _C17    59     1.57392   116.22637   -99.17567
   52    48 S   CT   _C15    48     1.53258   114.19636   179.75213
   53    52 S   HC   _H31    49     1.09498   110.00349   -75.48651
   54    51 S   CT   _C18    60     1.55743   107.25757   161.01284
   55    54 S   HC   _H33    61     1.09471   112.48927    53.01422
   56    54 S   HC   _H34    62     1.09647   110.57054   -66.20985
   57    54 S   HC   _H35    63     1.09245   112.66126   173.74947
   58    52 S   CM   _C7_    50     1.49042   110.50222   158.71380
   59    58 S   CO4  _C8_    51     1.48228   107.93230   -91.29754
   60    59 S   O    _O17    52     1.21697   127.24051   167.17412
   61    58 S   CM   _C10    64     1.33432   128.80835    90.87482
   62    61 S   HC   _H23    65     1.08504   120.63012    -0.90352
   63    61 S   HC   _H24    66     1.08475   121.65121   178.66221
   64    59 S   OS   _O18    53     1.36964   106.56892   -11.12082
   65    52 S   CT   _C16    54     1.51219   114.04757    49.40451
   66    65 S   HC   _H32    55     1.10006   110.46639  -164.81583
   67    65 S   CT   _C12    56     1.52266   113.93979   -44.00661
   68    67 S   HC   _H27    57     1.09700   109.26096   169.91572
   69    67 S   HC   _H28    58     1.09269   104.45019   -75.72267
  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   9   5   4   3
  18   7   2   1   1   9   4   9   3  12  19   8   4   1   1  13
   6   5  11  13   7   7   3   2   1   9   8   3   4   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    67    51    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    48    65    67    68    69    51    54    55    56    57  
   38    39    40    43    67    51    54  
   36    37  
   37  
    0  
   39    40    41    42    43    67    51    54    45  
   40    41    42    51  
   41    42    43    44    48    51    45    46    47  
   42    43    45  
   43    44    48    49    50    52    67    51    54    45    46    47  
   44    48    49    50    52    53    58    65    67    68    69    51    54    55    56    57    45    46    47  
   48    49    50    52    67    51    54    45  
   46    47    48    51  
   47  
    0  
   49    50    52    53    58    59    64    65    66    67    51    54    61  
   50    52    53    58    65    51  
   52    53    58    65    51  
   54    55    56    57    52    64    65    66    67    68    69  
   53    58    59    60    64    65    66    67    68    69    61    62    63  
   58    59    64    65    66    67    61  
   55    56    57    65    67    68    69  
   56    57    67  
   57    67  
   67  
   59    60    64    65    66    67    61    62    63  
   60    64    65    66    67    61    62    63  
   64    65    61  
   62    63    64    65  
   63  
    0  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    51   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   317.000  1.510
   42    45   549.000  1.340
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    58   317.000  1.510
   52    65   268.000  1.529
   58    59   320.000  1.462
   58    61   549.000  1.340
   59    60   570.000  1.229
   59    64   214.000  1.327
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    51   268.000  1.529
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   61    62   340.000  1.080
   61    63   340.000  1.080
   45    46   340.000  1.080
   45    47   340.000  1.080
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    51    43    58.35000  112.70000
   33    51    67    58.35000  112.70000
   33    51    54    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  124.00000
   40    42    45    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  109.50000
   42    43    48    70.00000  112.02700
   42    43    51    70.00000  112.02700
   42    45    46    35.00000  120.00000
   42    45    47    35.00000  120.00000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    52    58.35000  112.70000
   43    51    67    58.35000  112.70000
   43    51    54    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    58    70.00000  112.02700
   48    52    65    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    58    59    65.00000  116.34900
   52    58    61    70.00000  124.00000
   52    65    64    50.00000  109.50000
   52    65    66    37.50000  110.70000
   52    65    67    58.35000  112.70000
   58    52    53    35.00000  109.50000
   58    59    60    80.00000  123.72100
   58    59    64    90.00000  111.29400
   58    61    62    35.00000  120.00000
   58    61    63    35.00000  120.00000
   59    64    65    83.00000  116.90000
   64    59    60    83.00000  123.40000
   64    65    66    35.00000  109.50000
   64    65    67    50.00000  109.50000
   65    52    53    37.50000  110.70000
   65    52    58    70.00000  112.02700
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    51    58.35000  112.70000
   67    65    66    37.50000  110.70000
   67    51    54    58.35000  112.70000
   69    67    68    33.00000  107.80000
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    43    44    37.50000  110.70000
   51    43    48    58.35000  112.70000
   51    67    68    37.50000  110.70000
   51    67    69    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   61    58    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   45    42    43    70.00000  124.00000
   47    45    46    35.00000  117.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    43   0.44750  1.0 1.0
   29    33    51    43  -0.17800 -1.0 2.0
   29    33    51    43   0.20200  1.0 3.0
   29    33    51    67   0.44750  1.0 1.0
   29    33    51    67  -0.17800 -1.0 2.0
   29    33    51    67   0.20200  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    51    54    55   0.15000  1.0 3.0
   33    51    54    56   0.15000  1.0 3.0
   33    51    54    57   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    43   0.15000  1.0 3.0
   34    33    51    67   0.15000  1.0 3.0
   34    33    51    54   0.15000  1.0 3.0
   38    33    51    43   0.34400  1.0 1.0
   38    33    51    43   0.09450 -1.0 2.0
   38    33    51    43   0.11100  1.0 3.0
   38    33    51    67   0.34400  1.0 1.0
   38    33    51    67   0.09450 -1.0 2.0
   38    33    51    67   0.11100  1.0 3.0
   38    33    51    54   0.34400  1.0 1.0
   38    33    51    54   0.09450 -1.0 2.0
   38    33    51    54   0.11100  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.00000  1.0 1.0
   40    42    43    48   0.09850  1.0 1.0
   40    42    43    48   0.15250 -1.0 2.0
   40    42    43    48  -0.50650  1.0 3.0
   40    42    43    51   0.09850  1.0 1.0
   40    42    43    51   0.15250 -1.0 2.0
   40    42    43    51  -0.50650  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42    45    47   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43    48    49   0.15000  1.0 3.0
   42    43    48    50   0.15000  1.0 3.0
   42    43    48    52   0.34400  1.0 1.0
   42    43    48    52   0.09450 -1.0 2.0
   42    43    48    52   0.11100  1.0 3.0
   42    43   -51    33   0.34400  1.0 1.0
   42    43   -51    33   0.09450 -1.0 2.0
   42    43   -51    33   0.11100  1.0 3.0
   42    43    51    67   0.34400  1.0 1.0
   42    43    51    67   0.09450 -1.0 2.0
   42    43    51    67   0.11100  1.0 3.0
   42    43    51    54   0.34400  1.0 1.0
   42    43    51    54   0.09450 -1.0 2.0
   42    43    51    54   0.11100  1.0 3.0
   43    42    45    46   7.00000 -1.0 2.0
   43    42    45    47   7.00000 -1.0 2.0
   43    48    52    53   0.15000  1.0 3.0
   43    48    52    58   0.34400  1.0 1.0
   43    48    52    58   0.09450 -1.0 2.0
   43    48    52    58   0.11100  1.0 3.0
   43    48    52    65   0.56750  1.0 1.0
   43    48    52    65  -0.07550 -1.0 2.0
   43    48    52    65   0.20000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    56   0.15000  1.0 3.0
   43    51    54    57   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   44    43    51    33   0.15000  1.0 3.0
   44    43    51    67   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   48    43    51    33   0.56750  1.0 1.0
   48    43    51    33  -0.07550 -1.0 2.0
   48    43    51    33   0.20000  1.0 3.0
   48    43    51    67   0.56750  1.0 1.0
   48    43    51    67  -0.07550 -1.0 2.0
   48    43    51    67   0.20000  1.0 3.0
   48    43    51    54   0.56750  1.0 1.0
   48    43    51    54  -0.07550 -1.0 2.0
   48    43    51    54   0.20000  1.0 3.0
   48    52    58    59   0.09700  1.0 1.0
   48    52    58    59   0.15600 -1.0 2.0
   48    52    58    59  -0.50800  1.0 3.0
   48    52    58    61   0.09850  1.0 1.0
   48    52    58    61   0.15250 -1.0 2.0
   48    52    58    61  -0.50650  1.0 3.0
   48    52    65    64   0.62750  1.0 1.0
   48    52    65    64  -0.30950 -1.0 2.0
   48    52    65    64   0.27300  1.0 3.0
   48    52    65    66   0.15000  1.0 3.0
   48    52   -65    67   0.56750  1.0 1.0
   48    52   -65    67  -0.07550 -1.0 2.0
   48    52   -65    67   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    58   0.15000  1.0 3.0
   49    48    52    65   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    58   0.15000  1.0 3.0
   50    48    52    65   0.15000  1.0 3.0
   52    58    59    60  -0.64400  1.0 1.0
   52    58    59    60   0.26850 -1.0 2.0
   52    58   -59    64  -0.15000  1.0 1.0
   52    58   -59    64   0.89550 -1.0 2.0
   52    58   -59    64  -0.06900  1.0 3.0
   52    58    61    62   7.00000 -1.0 2.0
   52    58    61    63   7.00000 -1.0 2.0
   52    65    67    68   0.15000  1.0 3.0
   52    65    67    69   0.15000  1.0 3.0
   52    65    67    51   0.56750  1.0 1.0
   52    65    67    51  -0.07550 -1.0 2.0
   52    65    67    51   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    61   0.00000  1.0 1.0
   53    52    65    64   0.23400  1.0 3.0
   53    52    65    66   0.15000  1.0 3.0
   53    52    65    67   0.15000  1.0 3.0
   58    52   -65    64   0.61850  1.0 1.0
   58    52   -65    64  -0.22750 -1.0 2.0
   58    52   -65    64   0.15300  1.0 3.0
   58    52    65    66   0.15000  1.0 3.0
   58    52    65    67   0.34400  1.0 1.0
   58    52    65    67   0.09450 -1.0 2.0
   58    52    65    67   0.11100  1.0 3.0
   58    59   -64    65   2.00000 -1.0 2.0
   59    58    61    62   7.00000 -1.0 2.0
   59    58    61    63   7.00000 -1.0 2.0
   59    64   -65    52  -0.25900  1.0 1.0
   59    64   -65    52  -0.47000 -1.0 2.0
   59    64   -65    52   0.11750  1.0 3.0
   59    64    65    66   0.08050  1.0 3.0
   59    64    65    67  -0.25900  1.0 1.0
   59    64    65    67  -0.47000 -1.0 2.0
   59    64    65    67   0.11750  1.0 3.0
   60    59    64    65   3.00000 -1.0 2.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    69   0.23400  1.0 3.0
   64    65    67    51   0.62750  1.0 1.0
   64    65    67    51  -0.30950 -1.0 2.0
   64    65    67    51   0.27300  1.0 3.0
   65    52   -58    59   0.09700  1.0 1.0
   65    52   -58    59   0.15600 -1.0 2.0
   65    52   -58    59  -0.50800  1.0 3.0
   65    52    58    61   0.09850  1.0 1.0
   65    52    58    61   0.15250 -1.0 2.0
   65    52    58    61  -0.50650  1.0 3.0
   65    67    51    33   0.56750  1.0 1.0
   65    67    51    33  -0.07550 -1.0 2.0
   65    67    51    33   0.20000  1.0 3.0
   65    67   -51    43   0.56750  1.0 1.0
   65    67   -51    43  -0.07550 -1.0 2.0
   65    67   -51    43   0.20000  1.0 3.0
   65    67    51    54   0.56750  1.0 1.0
   65    67    51    54  -0.07550 -1.0 2.0
   65    67    51    54   0.20000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    51   0.15000  1.0 3.0
   67    51    54    55   0.15000  1.0 3.0
   67    51    54    56   0.15000  1.0 3.0
   67    51    54    57   0.15000  1.0 3.0
   68    67    51    33   0.15000  1.0 3.0
   68    67    51    43   0.15000  1.0 3.0
   68    67    51    54   0.15000  1.0 3.0
   69    67    51    33   0.15000  1.0 3.0
   69    67    51    43   0.15000  1.0 3.0
   69    67    51    54   0.15000  1.0 3.0
   51    33    38    39   0.00000  1.0 1.0
   51    33   -38    40   0.09850  1.0 1.0
   51    33   -38    40   0.15250 -1.0 2.0
   51    33   -38    40  -0.50650  1.0 3.0
   51    43    48    49   0.15000  1.0 3.0
   51    43    48    50   0.15000  1.0 3.0
   51    43   -48    52   0.56750  1.0 1.0
   51    43   -48    52  -0.07550 -1.0 2.0
   51    43   -48    52   0.20000  1.0 3.0
   61    58    59    60   1.00000 -1.0 2.0
   61    58    59    64  -0.56150  1.0 1.0
   61    58    59    64   2.19150 -1.0 2.0
   45    42    43    44   0.00000  1.0 1.0
   45    42    43    48   0.09850  1.0 1.0
   45    42    43    48   0.15250 -1.0 2.0
   45    42    43    48  -0.50650  1.0 3.0
   45    42    43    51   0.09850  1.0 1.0
   45    42    43    51   0.15250 -1.0 2.0
   45    42    43    51  -0.50650  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    45   1.10000 -1.0 2.0
   52    59    58    61   1.10000 -1.0 2.0
   58    64    59    60  10.50000 -1.0 2.0
   62    63    61    58   1.10000 -1.0 2.0
   46    47    45    42   1.10000 -1.0 2.0
END
