* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    143    213     412
    1     0 S   NP   _N1_     1    28.86339    94.94488   -24.92514
    2     1 S   H    _HN1     2     1.02952    81.20950    11.77190
    3     1 S   H    _H1_     3     1.02825    26.47174   179.49101
    4     1 S   H    _H2_     4     1.02781   112.10188   -94.57028
    5     1 S   CT   _CA1     5     1.50123   126.98773   120.70720
    6     5 S   HC   _HA1     6     1.09574   105.18982    83.28220
    7     5 S   CO3  _C1_     7     1.53789   112.45523   -36.91437
    8     7 S   O2Z  _O11     8     1.26371   115.00190   -42.17911
    9     7 S   O2Z  _O12     9     1.26242   114.94892   136.91510
   10     5 S   CT   _CB1    10     1.53079   107.40474  -158.75986
   11    10 S   HC   HB11    11     1.09831   109.34290   -49.86764
   12    10 S   HC   HB12    12     1.09813   110.45034    66.73179
   13    10 S   CT   _CG1    13     1.52982   112.62304  -170.87047
   14    13 S   HC   HG11    14     1.09585   110.58987   -65.79295
   15    13 S   HC   HG12    15     1.09670   109.81740    53.43453
   16    13 S   C    _CD1    16     1.51806   112.26860   173.84171
   17    16 S   O    _OE1    17     1.22728   123.30780     5.38634
   18    16 S   N    _N2_    18     1.38653   111.63539  -174.58890
   19    18 S   H    _HN2    19     1.01577   118.92200     1.69685
   20    18 S   CT1  _CA2    20     1.46212   123.42007   177.80224
   21    20 S   HC   _HA2    21     1.09739   109.39132     2.28696
   22    20 S   C    _C2_    22     1.53559   108.58728  -113.19876
   23    22 S   O    _O2_    23     1.23061   122.28132  -147.82246
   24    20 S   CT   _CB2    32     1.53513   111.52994   124.35663
   25    24 S   HC   HB21    33     1.09360   109.45952    56.43174
   26    24 S   HC   HB22    34     1.09420   109.61390   175.33646
   27    22 S   N    _N3_    24     1.38331   113.70813    39.62579
   28    27 S   H    _HN3    25     1.01588   119.57718    -3.35783
   29    24 S   S    _SG2    35     1.82916   111.03435   -65.22113
   30    27 S   CT   _CA3    26     1.45286   123.19843   177.10971
   31    30 S   HC   HA31    27     1.09550   107.50981   -64.52495
   32    30 S   HC   HA32    28     1.09557   107.98132    51.90730
   33    29 S   CT   _C18    36     1.86005   102.75331   171.84050
   34    30 S   CO3  _C3_    29     1.52956   114.09484   173.90410
   35    34 S   O2Z  _O31    30     1.26374   116.06997    -0.71628
   36    34 S   O2Z  _O32    31     1.26430   114.41056   179.34628
   37    33 S   CT   _C11    37     1.57210   110.93349   173.25076
   38    37 S   HC   _H28    38     1.09682   105.59125  -174.43648
   39    33 S   CT   _C16    68     1.54239   109.35498   -65.89965
   40    39 S   HC   _H36    69     1.09467   112.37295    68.17596
   41    39 S   HC   _H37    70     1.09563   112.29176   -53.27081
   42    39 S   HC   _H38    71     1.09676   110.51175  -173.19571
   43    33 S   CT   _C17    72     1.54253   109.52524    52.69844
   44    43 S   HC   _H39    73     1.09545   112.11480   -69.98841
   45    43 S   HC   _H40    74     1.09497   112.41664    51.46641
   46    43 S   HC   _H41    75     1.09662   110.68991   171.61248
   47    37 S   CO4  _C6_    39     1.54039   113.14885    70.38464
   48    47 S   O    _O16    40     1.23195   121.52868   -63.85722
   49    37 S   CT   _C10    56     1.54885   115.57635   -56.45795
   50    49 S   HC   _H26    57     1.09411   110.75937   -50.13034
   51    49 S   HC   _H27    58     1.09595   110.73555    67.84056
   52    47 S   CT   _C8_    41     1.52894   117.43484   117.19618
   53    52 S   HC   _H22    42     1.09245   109.87541    -7.78334
   54    52 S   HC   _H23    43     1.09650   107.76755  -121.93913
   55    52 S   CM   _C5_    44     1.50947   111.21031   116.73231
   56    55 S   CM   _C4_    45     1.34879   125.37276  -103.67324
   57    56 S   HC   _H19    46     1.09036   117.63175   179.72732
   58    55 S   CT   _C14    64     1.50985   115.31457    77.93495
   59    58 S   HC   _H30    65     1.09354   110.95877   -67.70301
   60    58 S   HC   _H31    66     1.09546   112.29443   172.19453
   61    58 S   HC   _H32    67     1.09503   110.28857    52.74456
   62    56 S   CT   _C7_    47     1.50548   129.14093    -1.53786
   63    62 S   HC   _H20    48     1.09782   106.50824  -134.64424
   64    62 S   HC   _H21    49     1.09350   111.88659   -19.69744
   65    62 S   CT   _C9_    50     1.53644   113.02424   106.68556
   66    65 S   HC   _H24    51     1.09762   110.59244    36.71293
   67    65 S   HC   _H25    52     1.09712   108.79590   152.87425
   68    65 S   C3T  _C13    53     1.50703   111.65514   -87.37453
   69    68 S   C3T  _C12    54     1.51919   117.14647    79.62591
   70    69 S   HC   _H29    55     1.08252   119.77370     0.26319
   71    68 S   CT   _C15    60     1.50129   116.55987   -80.67195
   72    71 S   HC   _H33    61     1.09413   112.57485  -172.63521
   73    71 S   HC   _H34    62     1.09397   110.80358    66.36826
   74    71 S   HC   _H35    63     1.09522   110.24328   -53.06102
   75    68 S   O3T  _O17    59     1.43951   115.51778   144.84006
  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  22   9   9   3   2   1   5   2   1   1  11   5
   9   5   4  10   4   3  10  12   5   4   2   1   1   9   5   4
  10   5   4   7   6   2   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    47    49    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    52    69    49    50    51    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    52    53    54    55    68    69    70    49    50    51    75    39    40    41    42    43    44    45    46  
   47    48    52    69    49    50    51    39    43  
   40    41    42    43    44    45    46    47    49  
   41    42    43  
   42    43  
   43  
   44    45    46    47    49  
   45    46  
   46  
    0  
   48    52    53    54    55    56    69    49    50    51    58  
   52    53    54    55    49  
   50    51    75    71    52    65    68    69    70  
   51    75    68    69    70  
   75    68    69    70  
   53    54    55    56    57    62    58    59    60    61  
   54    55    56    58  
   55    56    58  
   56    57    62    63    64    65    58    59    60    61  
   57    62    63    64    65    66    67    68    58    59    60    61  
   62    63    64    65    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    75    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    75    71    72    73    74  
   67    68    69    75    71  
   68    69    75    71  
   69    70    75    71    72    73    74  
   70    75    71    72    73    74  
   75    71  
   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   0.167500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   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  -0.180000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   317.000  1.522
   37    49   268.000  1.529
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.510
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   275.000  1.510
   68    69   260.000  1.509
   68    75   335.000  1.432
   68    71   275.000  1.510
   69    70   340.000  1.088
   69    49   275.000  1.510
   69    75   335.000  1.432
   49    50   340.000  1.090
   49    51   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   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    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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    37    49    58.35000  112.70000
   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    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    52    70.00000  116.00000
   37    49    69    70.00000  112.37300
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   47    37    38    35.00000  109.50000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    70.00000  109.06800
   52    47    48    80.00000  120.40000
   52    55    56    70.00000  124.00000
   52    55    58    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  124.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    70.00000  112.02700
   62    56    57    35.00000  117.00000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.37300
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    60.00000  120.94000
   65    68    75    80.00000  116.47100
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    45.00000  109.38400
   68    65    67    45.00000  109.38400
   68    69    70    37.50000  117.20000
   68    69    49    60.00000  120.94000
   68    69    75    15.00000   60.43100
   68    75    69    15.00000   59.14900
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   69    49    50    45.00000  109.38400
   69    49    51    45.00000  109.38400
   49    37    38    37.50000  110.70000
   49    37    47    63.00000  111.10000
   49    69    70    40.00000  115.04500
   51    49    50    33.00000  107.80000
   75    68    69    15.00000   60.43100
   75    69    70    50.00000  114.27700
   75    69    49    80.00000  116.47100
   71    68    69    60.00000  120.94000
   71    68    75    80.00000  116.47100
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    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    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    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    37    49   0.44750  1.0 1.0
   29    33    37    49  -0.17800 -1.0 2.0
   29    33    37    49   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    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    52   0.60050  1.0 1.0
   33    37    47    52   0.05600 -1.0 2.0
   33    37    47    52   0.26150  1.0 3.0
   33    37    49    69   0.47050  1.0 1.0
   33    37    49    69   0.03900 -1.0 2.0
   33    37    49    69   0.20100  1.0 3.0
   33    37    49    50   0.15000  1.0 3.0
   33    37    49    51   0.15000  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    46   0.15000  1.0 3.0
   37    47    52    53   0.00000  1.0 1.0
   37    47    52    54   0.00000  1.0 1.0
   37    47    52    55   0.65300  1.0 1.0
   37    47    52    55  -0.03850 -1.0 2.0
   37    47    52    55   0.33900  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    52   0.00000  1.0 1.0
   38    37    49    69   0.15000  1.0 3.0
   38    37    49    50   0.15000  1.0 3.0
   38    37    49    51   0.15000  1.0 3.0
   47    37    49    69  -0.95700  1.0 1.0
   47    37    49    69  -0.18200 -1.0 2.0
   47    37    49    69   0.29450  1.0 3.0
   47    37    49    50  -0.11250  1.0 3.0
   47    37    49    51  -0.11250  1.0 3.0
   47    52    55    56  -0.51250  1.0 1.0
   47    52    55    56  -0.88800 -1.0 2.0
   47    52    55    56   0.08850  1.0 3.0
   47    52    55    58   0.17250  1.0 1.0
   47    52    55    58  -0.04100 -1.0 2.0
   47    52    55    58  -0.33850  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   48    47    52    55   0.30150 -1.0 2.0
   52    55    56    57   7.00000 -1.0 2.0
   52    55    56    62   7.00000 -1.0 2.0
   52    55    58    59   0.34800  1.0 3.0
   52    55    58    60   0.34800  1.0 3.0
   52    55    58    61   0.34800  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    58   0.34800  1.0 3.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    58   0.34800  1.0 3.0
   55    56    62    63   0.00000  1.0 1.0
   55    56    62    64   0.00000  1.0 1.0
   55    56    62    65   0.09850  1.0 1.0
   55    56    62    65   0.15250 -1.0 2.0
   55    56    62    65  -0.50650  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    65    66   0.15000  1.0 3.0
   56    62    65    67   0.15000  1.0 3.0
   56    62    65    68   0.34400  1.0 1.0
   56    62    65    68   0.09450 -1.0 2.0
   56    62    65    68   0.11100  1.0 3.0
   57    56    62    63   0.33100  1.0 3.0
   57    56    62    64   0.33100  1.0 3.0
   57    56    62    65   0.00000  1.0 1.0
   62    65    68    69   0.07850  1.0 1.0
   62    65    68    69  -0.03950 -1.0 2.0
   62    65    68    69   0.67350  1.0 3.0
   62    65    68    75   0.02550  1.0 1.0
   62    65    68    75  -0.02600 -1.0 2.0
   62    65    68    75   1.20400  1.0 3.0
   62    65    68    71   0.56750  1.0 1.0
   62    65    68    71  -0.07550 -1.0 2.0
   62    65    68    71   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    70   0.15000  1.0 3.0
   65    68    69    49   0.56750  1.0 1.0
   65    68    69    49  -0.07550 -1.0 2.0
   65    68    69    49   0.20000  1.0 3.0
   65    68   -69    75   0.02550  1.0 1.0
   65    68   -69    75  -0.02600 -1.0 2.0
   65    68   -69    75   1.20400  1.0 3.0
   65    68   -75    69   0.06250  1.0 1.0
   65    68   -75    69  -0.01100 -1.0 2.0
   65    68   -75    69   0.28050  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    73   0.15000  1.0 3.0
   65    68    71    74   0.15000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    75   0.23400  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    75   0.23400  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    69    49    37   0.07850  1.0 1.0
   68    69    49    37  -0.03950 -1.0 2.0
   68    69    49    37   0.67350  1.0 3.0
   68    69    49    50   0.15000  1.0 3.0
   68    69    49    51   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    69    49    37   0.15000  1.0 3.0
   70    69    49    50   0.15000  1.0 3.0
   70    69    49    51   0.15000  1.0 3.0
   70    69   -75    68   0.36800  1.0 3.0
   49    37    47    48   0.30150 -1.0 2.0
   49    37    47    52   0.60050  1.0 1.0
   49    37    47    52   0.05600 -1.0 2.0
   49    37    47    52   0.26150  1.0 3.0
   49    69   -75    68   0.06250  1.0 1.0
   49    69   -75    68  -0.01100 -1.0 2.0
   49    69   -75    68   0.28050  1.0 3.0
   75    68   -69    70   0.23400  1.0 3.0
   75    68   -69    49   0.02550  1.0 1.0
   75    68   -69    49  -0.02600 -1.0 2.0
   75    68   -69    49   1.20400  1.0 3.0
   75    68    71    72   0.23400  1.0 3.0
   75    68    71    73   0.23400  1.0 3.0
   75    68    71    74   0.23400  1.0 3.0
   75    69    49    37   0.02550  1.0 1.0
   75    69    49    37  -0.02600 -1.0 2.0
   75    69    49    37   1.20400  1.0 3.0
   75    69    49    50   0.23400  1.0 3.0
   75    69    49    51   0.23400  1.0 3.0
   71    68    69    70   0.15000  1.0 3.0
   71    68    69    49   0.56750  1.0 1.0
   71    68    69    49  -0.07550 -1.0 2.0
   71    68    69    49   0.20000  1.0 3.0
   71    68   -69    75   0.02550  1.0 1.0
   71    68   -69    75  -0.02600 -1.0 2.0
   71    68   -69    75   1.20400  1.0 3.0
   71    68   -75    69   0.06250  1.0 1.0
   71    68   -75    69  -0.01100 -1.0 2.0
   71    68   -75    69   0.28050  1.0 3.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    37    49   0.56750  1.0 1.0
   39    33    37    49  -0.07550 -1.0 2.0
   39    33    37    49   0.20000  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    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    37    49   0.56750  1.0 1.0
   43    33    37    49  -0.07550 -1.0 2.0
   43    33    37    49   0.20000  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
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    47    48  10.50000 -1.0 2.0
   52    58    55    56   1.10000 -1.0 2.0
   62    57    56    55   1.10000 -1.0 2.0
END
