* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    142    225     411
    1     0 S   NP   _N1_     1    28.49128    97.24622   -22.86633
    2     1 S   H    _HN1     2     1.02957    71.98729    -6.19112
    3     1 S   H    _H1_     3     1.02831    37.71413   151.45117
    4     1 S   H    _H2_     4     1.02786   106.59013  -110.55312
    5     1 S   CT   _CA1     5     1.50145   137.30325    94.62744
    6     5 S   HC   _HA1     6     1.09576   105.18226    92.33746
    7     5 S   CO3  _C1_     7     1.53757   112.39746   -27.81458
    8     7 S   O2Z  _O11     8     1.26366   114.99637   -43.37950
    9     7 S   O2Z  _O12     9     1.26235   114.92518   135.59808
   10     5 S   CT   _CB1    10     1.53058   107.38116  -149.79113
   11    10 S   HC   HB11    11     1.09835   109.23593   -50.39989
   12    10 S   HC   HB12    12     1.09815   110.45980    66.11503
   13    10 S   CT   _CG1    13     1.53039   112.74933  -171.45677
   14    13 S   HC   HG11    14     1.09584   110.58059   -66.49893
   15    13 S   HC   HG12    15     1.09660   109.86719    52.77024
   16    13 S   C    _CD1    16     1.51818   112.12071   173.07406
   17    16 S   O    _OE1    17     1.22770   123.22274     4.71410
   18    16 S   N    _N2_    18     1.38597   111.88216  -175.29197
   19    18 S   H    _HN2    19     1.01576   119.12968     2.51762
   20    18 S   CT1  _CA2    20     1.45919   122.68024   176.60546
   21    20 S   HC   _HA2    21     1.09685   110.06357    21.76883
   22    20 S   C    _C2_    22     1.52767   104.51468   -95.49528
   23    22 S   O    _O2_    23     1.23009   122.54741   -85.40320
   24    20 S   CT   _CB2    32     1.53335   111.98156   145.21141
   25    24 S   HC   HB21    33     1.09495   110.15393    51.07131
   26    24 S   HC   HB22    34     1.09285   108.94021   170.01412
   27    22 S   N    _N3_    24     1.38459   112.99962    90.28263
   28    27 S   H    _HN3    25     1.01712   120.15439     0.78981
   29    24 S   S    _SG2    35     1.82695   110.59263   -69.08199
   30    27 S   CT   _CA3    26     1.45335   122.43917  -177.87975
   31    30 S   HC   HA31    27     1.09561   107.52799   -62.62737
   32    30 S   HC   HA32    28     1.09576   107.84982    53.64286
   33    29 S   CT   _C16    36     1.90073   102.87398  -169.76332
   34    30 S   CO3  _C3_    29     1.52864   114.51676   175.61519
   35    34 S   O2Z  _O31    30     1.26304   116.15639     1.16483
   36    34 S   O2Z  _O32    31     1.26460   114.35951  -178.75856
   37    33 S   CT   _C8_    37     1.57297   107.72137    67.62250
   38    37 S   HC   _H24    38     1.09748   109.33982   -67.38846
   39    37 S   HC   _H25    39     1.09027   107.15751  -179.46551
   40    33 S   CT   _C13    56     1.61807   108.74765  -170.43306
   41    40 S   OM   _O16    57     1.33075   109.43590    53.06600
   42    40 S   HC   _H30    58     1.09485   105.64265   -73.78195
   43    33 S   CT   _C18    69     1.54854   109.04952   -49.03111
   44    43 S   HC   _H36    70     1.09529   112.30844   -57.02004
   45    43 S   HC   _H37    71     1.09542   111.04596  -177.70552
   46    43 S   HC   _H38    72     1.09495   112.14206    64.54391
   47    37 S   CT   _C14    40     1.54487   116.89961    55.75501
   48    47 S   HC   _H31    41     1.09387   111.61739    24.88723
   49    47 S   CT   _C12    42     1.53740   115.04515   152.56260
   50    49 S   HC   _H29    43     1.10107   108.07800    46.81555
   51    49 S   CT   _C9_    44     1.54771   117.19914   -77.20990
   52    51 S   HC   _H26    45     1.09409   112.68887  -133.53487
   53    49 S   CT   _C11    60     1.52944   100.17575   159.70450
   54    53 S   HC   _H28    61     1.09655   111.30929    78.51222
   55    51 S   CM   _C4_    46     1.47898   114.40067    -5.06709
   56    55 S   HC   _H23    47     1.08161   123.28477   -67.00090
   57    53 S   CO4  _C7_    62     1.50986   101.29547   -36.10120
   58    57 S   O    _O18    63     1.22079   126.20047  -160.30210
   59    53 S   CT   _C17    65     1.51972   113.12581  -156.10539
   60    59 S   HC   _H33    66     1.09567   111.48021    58.82980
   61    59 S   HC   _H34    67     1.09412   111.28843   -62.11846
   62    59 S   HC   _H35    68     1.09539   110.55918   177.96548
   63    55 S   CM   _C5_    48     1.33355   111.38928   100.94339
   64    47 S   OS   _O20    64     1.44189   109.93229   -92.18473
   65    63 S   CO4  _C6_    49     1.47849   105.23753    11.92622
   66    65 S   O    _O17    50     1.21910   125.38403   176.16467
   67    63 S   C3T  _C10    52     1.45129   130.23251  -162.36119
   68    67 S   HC   _H27    53     1.08687   112.40911  -155.92287
   69    51 S   OS   _O19    51     1.43579   107.44008   108.33818
   70    67 S   C3T  _C15    54     1.53792   119.00813    64.16753
   71    70 S   HC   _H32    55     1.08736   114.82235   135.70254
   72    67 S   O3T  _O21    59     1.42123   126.27183    -6.42193
  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
  18   2   1   1  18   7   6  13   6   5   5   2   1   1  13   6
  17   9  13   6  10   7   9   4   6   2   4   2   1   1   8   1
   6   2   5   3   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    70    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    67    70    71    40    41    42    72    64    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    70    40    41    42    53    57    64    43    44    45    46  
   39    47    48    49    40    64    43  
   47    48    49    40    64    43  
   41    42    72    43    44    45    46    47    63    67    68    70    71  
   42    72    43    67    70    71  
   72    43    67    70    71  
   44    45    46    47    70  
   45    46  
   46  
    0  
   48    49    50    51    52    55    69    53    54    57    58    64    59  
   49    50    51    53    57    64  
   50    51    52    55    56    63    65    69    53    54    57    58    64    59    60    61    62  
   51    52    55    69    53    54    57    64    59  
   52    55    56    63    65    66    69    67    53    54    57    64    59  
   55    56    63    65    69    53  
   54    57    58    64    59    60    61    62    55    69  
   57    58    64    59    60    61    62  
   56    63    65    66    69    67    68    70    72  
   63    65    69    67  
   58    64    59    60    61    62  
   64    59  
   60    61    62    64  
   61    62  
   62  
    0  
   65    66    69    67    68    70    71    72  
    0  
   66    69    67    68    70    72  
   69    67  
   68    70    71    72    69  
   70    71    72  
    0  
   71    72  
   72  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    64   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    69   320.000  1.410
   55    56   340.000  1.080
   55    63   549.000  1.340
   63    65   320.000  1.462
   63    67   305.000  1.480
   65    66   570.000  1.229
   65    69   214.000  1.327
   67    68   340.000  1.088
   67    70   260.000  1.509
   67    72   335.000  1.432
   70    71   340.000  1.088
   70    40   275.000  1.510
   70    72   335.000  1.432
   40    41   570.000  1.307
   40    42   340.000  1.090
   53    54   340.000  1.090
   53    57   317.000  1.522
   53    59   268.000  1.529
   57    58   570.000  1.229
   57    64   214.000  1.327
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    70    70.00000  112.37300
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    64    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    53    58.35000  112.70000
   47    64    57    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    55    70.00000  112.02700
   49    51    69    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    57    63.00000  111.10000
   49    53    59    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    55    56    35.00000  117.00000
   51    55    63    70.00000  124.00000
   51    69    65    83.00000  116.90000
   55    51    52    35.00000  109.50000
   55    63    65    65.00000  118.96000
   55    63    67    55.00000  125.06700
   63    55    56    35.00000  120.00000
   63    65    66    80.00000  123.72100
   63    65    69    90.00000  111.29400
   63    67    68    40.00000  112.45000
   63    67    70    60.00000  120.58800
   63    67    72    85.00000  114.23300
   69    51    52    35.00000  109.50000
   69    51    55    85.00000  110.90400
   69    65    66    83.00000  123.40000
   67    63    65    65.00000  114.68000
   67    70    71    37.50000  117.20000
   67    70    40    60.00000  120.94000
   67    70    72    15.00000   60.43100
   67    72    70    15.00000   59.14900
   70    67    68    37.50000  117.20000
   70    40    41    50.00000  109.50000
   70    40    42    45.00000  109.38400
   40    33    37    58.35000  112.70000
   40    70    71    40.00000  115.04500
   42    40    41    45.00000  125.66300
   72    67    68    50.00000  114.27700
   72    67    70    15.00000   60.43100
   72    70    71    50.00000  114.27700
   72    70    40    80.00000  116.47100
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    57    58    80.00000  120.40000
   53    57    64    81.00000  111.40000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   57    53    54    35.00000  109.50000
   64    47    48    35.00000  109.50000
   64    47    49    50.00000  109.50000
   64    57    58    83.00000  123.40000
   59    53    54    37.50000  110.70000
   59    53    57    63.00000  111.10000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    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    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    64   0.62750  1.0 1.0
   33    37    47    64  -0.30950 -1.0 2.0
   33    37    47    64   0.27300  1.0 3.0
   37    33    40    70   0.47050  1.0 1.0
   37    33    40    70   0.03900 -1.0 2.0
   37    33    40    70   0.20100  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    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    46   0.15000  1.0 3.0
   37    47    49    50   0.15000  1.0 3.0
   37    47    49    51   0.56750  1.0 1.0
   37    47    49    51  -0.07550 -1.0 2.0
   37    47    49    51   0.20000  1.0 3.0
   37    47    49    53   0.56750  1.0 1.0
   37    47    49    53  -0.07550 -1.0 2.0
   37    47    49    53   0.20000  1.0 3.0
   37    47    64    57  -0.25900  1.0 1.0
   37    47    64    57  -0.47000 -1.0 2.0
   37    47    64    57   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    64   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    64   0.23400  1.0 3.0
   47    49    51    52   0.15000  1.0 3.0
   47    49    51    55   0.34400  1.0 1.0
   47    49    51    55   0.09450 -1.0 2.0
   47    49    51    55   0.11100  1.0 3.0
   47    49    51    69   0.62750  1.0 1.0
   47    49    51    69  -0.30950 -1.0 2.0
   47    49    51    69   0.27300  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49   -53    57  -0.95700  1.0 1.0
   47    49   -53    57  -0.18200 -1.0 2.0
   47    49   -53    57   0.29450  1.0 3.0
   47    49    53    59   0.56750  1.0 1.0
   47    49    53    59  -0.07550 -1.0 2.0
   47    49    53    59   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    64    57   0.08050  1.0 3.0
   49    47   -64    57  -0.25900  1.0 1.0
   49    47   -64    57  -0.47000 -1.0 2.0
   49    47   -64    57   0.11750  1.0 3.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    63   0.09850  1.0 1.0
   49    51    55    63   0.15250 -1.0 2.0
   49    51    55    63  -0.50650  1.0 3.0
   49    51    69    65  -0.25900  1.0 1.0
   49    51    69    65  -0.47000 -1.0 2.0
   49    51    69    65   0.11750  1.0 3.0
   49    53    57    58   0.30150 -1.0 2.0
   49    53   -57    64   0.36750  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    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    69   0.23400  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    57  -0.11250  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    57  -0.95700  1.0 1.0
   51    49    53    57  -0.18200 -1.0 2.0
   51    49    53    57   0.29450  1.0 3.0
   51    49    53    59   0.56750  1.0 1.0
   51    49    53    59  -0.07550 -1.0 2.0
   51    49    53    59   0.20000  1.0 3.0
   51    55   -63    65   7.00000 -1.0 2.0
   51    55    63    67   7.00000 -1.0 2.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    63   0.00000  1.0 1.0
   52    51    69    65   0.08050  1.0 3.0
   55    51   -69    65  -0.82050  1.0 1.0
   55    51   -69    65   0.00600 -1.0 2.0
   55    51   -69    65   0.04400  1.0 3.0
   55    63    65    66   1.00000 -1.0 2.0
   55    63   -65    69  -0.56150  1.0 1.0
   55    63   -65    69   2.19150 -1.0 2.0
   55    63    67    68   0.00000  1.0 1.0
   55    63    67    70   0.09850  1.0 1.0
   55    63    67    70   0.15250 -1.0 2.0
   55    63    67    70  -0.50650  1.0 3.0
   55    63    67    72   0.39000  1.0 1.0
   55    63    67    72  -0.05800 -1.0 2.0
   55    63    67    72  -0.55150  1.0 3.0
   56    55    63    65   7.00000 -1.0 2.0
   56    55    63    67   7.00000 -1.0 2.0
   63    65   -69    51   2.00000 -1.0 2.0
   63    67    70    71   0.15000  1.0 3.0
   63    67    70    40   0.34400  1.0 1.0
   63    67    70    40   0.09450 -1.0 2.0
   63    67    70    40   0.11100  1.0 3.0
   63    67   -70    72   0.61850  1.0 1.0
   63    67   -70    72  -0.22750 -1.0 2.0
   63    67   -70    72   0.15300  1.0 3.0
   63    67   -72    70  -0.77900  1.0 1.0
   63    67   -72    70  -0.36900 -1.0 2.0
   63    67   -72    70   0.40400  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    70   0.09700  1.0 1.0
   65    63    67    70   0.15600 -1.0 2.0
   65    63    67    70  -0.50800  1.0 3.0
   65    63    67    72   0.09700  1.0 1.0
   65    63    67    72   0.15600 -1.0 2.0
   65    63    67    72  -0.50800  1.0 3.0
   66    65    69    51   3.00000 -1.0 2.0
   69    51    55    56   0.00000  1.0 1.0
   69    51   -55    63   0.39000  1.0 1.0
   69    51   -55    63  -0.05800 -1.0 2.0
   69    51   -55    63  -0.55150  1.0 3.0
   67    63    65    66  -0.64400  1.0 1.0
   67    63    65    66   0.26850 -1.0 2.0
   67    63    65    69  -0.15000  1.0 1.0
   67    63    65    69   0.89550 -1.0 2.0
   67    63    65    69  -0.06900  1.0 3.0
   67    70    40    33   0.07850  1.0 1.0
   67    70    40    33  -0.03950 -1.0 2.0
   67    70    40    33   0.67350  1.0 3.0
   67    70    40    41  -0.26800  1.0 1.0
   67    70    40    41   0.69150 -1.0 2.0
   67    70    40    41  -0.48750  1.0 3.0
   67    70    40    42   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    40   0.15000  1.0 3.0
   68    67   -70    72   0.23400  1.0 3.0
   68    67   -72    70   0.36800  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    41   0.23400  1.0 3.0
   71    70    40    42   0.15000  1.0 3.0
   71    70   -72    67   0.36800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   40    70   -72    67   0.06250  1.0 1.0
   40    70   -72    67  -0.01100 -1.0 2.0
   40    70   -72    67   0.28050  1.0 3.0
   72    67   -70    71   0.23400  1.0 3.0
   72    67   -70    40   0.02550  1.0 1.0
   72    67   -70    40  -0.02600 -1.0 2.0
   72    67   -70    40   1.20400  1.0 3.0
   72    70    40    33   0.02550  1.0 1.0
   72    70    40    33  -0.02600 -1.0 2.0
   72    70    40    33   1.20400  1.0 3.0
   72    70    40    41   1.11900  1.0 1.0
   72    70    40    41  -1.16350 -1.0 2.0
   72    70    40    41  -0.34150  1.0 3.0
   72    70    40    42   0.23400  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    55   0.34400  1.0 1.0
   53    49    51    55   0.09450 -1.0 2.0
   53    49    51    55   0.11100  1.0 3.0
   53    49    51    69   0.62750  1.0 1.0
   53    49    51    69  -0.30950 -1.0 2.0
   53    49    51    69   0.27300  1.0 3.0
   53    57   -64    47   1.63150  1.0 1.0
   53    57   -64    47   2.92000 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    64   0.00000  1.0 1.0
   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
   57    53    59    60  -0.11250  1.0 3.0
   57    53    59    61  -0.11250  1.0 3.0
   57    53    59    62  -0.11250  1.0 3.0
   58    57    64    47   3.00000 -1.0 2.0
   64    47    49    50   0.23400  1.0 3.0
   64    47    49    51   0.62750  1.0 1.0
   64    47    49    51  -0.30950 -1.0 2.0
   64    47    49    51   0.27300  1.0 3.0
   64    47   -49    53   0.62750  1.0 1.0
   64    47   -49    53  -0.30950 -1.0 2.0
   64    47   -49    53   0.27300  1.0 3.0
   59    53    57    58   0.30150 -1.0 2.0
   59    53    57    64   0.36750  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    70   0.47050  1.0 1.0
   43    33    40    70   0.03900 -1.0 2.0
   43    33    40    70   0.20100  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   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
   51    56    55    63   1.10000 -1.0 2.0
   65    67    63    55   1.10000 -1.0 2.0
   63    69    65    66  10.50000 -1.0 2.0
   53    64    57    58  10.50000 -1.0 2.0
END
