* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    194     386
    1     0 S   NP   _N1_     1    28.83070    96.32228   -23.99623
    2     1 S   H    _HN1     2     1.02793   111.20014   -93.22276
    3     1 S   H    _H1_     3     1.02949    71.39511     9.84542
    4     1 S   H    _H2_     4     1.02827    36.84180   174.95131
    5     1 S   CT   _CA1     5     1.50124   132.93893   110.75020
    6     5 S   HC   _HA1     6     1.09574   105.17837    94.52485
    7     5 S   CO3  _C1_     7     1.53782   112.46798   -25.70309
    8     7 S   O2Z  _O11     8     1.26376   115.00440   -42.41654
    9     7 S   O2Z  _O12     9     1.26238   114.94459   136.65545
   10     5 S   CT   _CB1    10     1.53068   107.40871  -147.48988
   11    10 S   HC   HB11    11     1.09839   109.35776   -49.43185
   12    10 S   HC   HB12    12     1.09812   110.45797    67.17179
   13    10 S   CT   _CG1    13     1.53004   112.62496  -170.38113
   14    13 S   HC   HG11    14     1.09576   110.68925   -66.44958
   15    13 S   HC   HG12    15     1.09670   109.73870    52.79627
   16    13 S   C    _CD1    16     1.51805   112.09988   173.27258
   17    16 S   O    _OE1    17     1.22746   123.22523     9.80171
   18    16 S   N    _N2_    18     1.38640   111.75136  -170.25164
   19    18 S   H    _HN2    19     1.01581   118.98750     1.46980
   20    18 S   CT1  _CA2    20     1.46232   123.40721   177.24878
   21    20 S   HC   _HA2    21     1.09743   109.31044     6.18494
   22    20 S   C    _C2_    22     1.53642   108.81329  -109.30335
   23    22 S   O    _O2_    23     1.23068   122.28575  -148.62661
   24    20 S   CT   _CB2    32     1.53418   111.49417   128.15149
   25    24 S   HC   HB21    33     1.09477   109.74799    56.92395
   26    24 S   HC   HB22    34     1.09446   109.65161   175.86701
   27    22 S   N    _N3_    24     1.38327   113.80697    38.91453
   28    27 S   H    _HN3    25     1.01552   119.59633    -3.26836
   29    24 S   S    _SG2    35     1.82990   111.10751   -64.91023
   30    27 S   CT   _CA3    26     1.45280   123.25930   177.15139
   31    30 S   HC   HA31    27     1.09548   107.51005   -64.77635
   32    30 S   HC   HA32    28     1.09555   107.99794    51.67777
   33    29 S   CT   _C14    36     1.89224   101.76171   165.64722
   34    30 S   CO3  _C3_    29     1.52971   114.04735   173.68043
   35    34 S   O2Z  _O31    30     1.26382   116.07041    -0.54715
   36    34 S   O2Z  _O32    31     1.26425   114.41873   179.51261
   37    33 S   CZ   _C4_    37     1.49224   107.38433   -67.13214
   38    37 S   NZ   _N12    38     1.16155   179.39834    -5.93237
   39    33 S   CT   _C12    39     1.55793   105.64561   176.80426
   40    39 S   HC   _H31    40     1.09587   111.21917   177.10024
   41    39 S   HC   _H32    41     1.09581   111.33882   -62.55704
   42    33 S   CT   _C13    44     1.59160   111.71998    54.05675
   43    42 S   OM   _O13    45     1.33088   109.11320   176.98383
   44    42 S   HC   _H33    46     1.09968   106.52129   -56.57440
   45    39 S   OH   _O19    42     1.42857   112.06387    58.13666
   46    45 S   HO   _H38    43     0.97230   106.96862  -179.84174
   47    42 S   CT   _C11    47     1.55717   112.99750    58.84613
   48    47 S   HC   _H29    48     1.09891   112.30174    75.11585
   49    47 S   HC   _H30    49     1.09355   110.77462   -45.41237
   50    47 S   OS1  _O20    50     1.43621   109.18929  -163.59492
   51    50 S   CO1  _C9_    51     1.43261   112.38868   178.91430
   52    51 S   HC   _H26    52     1.09830   108.43858    51.47067
   53    51 S   CT   _C7_    53     1.53413   107.49154   170.66382
   54    53 S   HC   _H24    54     1.09681   109.96368    52.74180
   55    53 S   CT   _C5_    55     1.53105   111.20611   174.64518
   56    55 S   HC   _H22    56     1.09670   110.20695    73.75875
   57    53 S   OH5  _O17    71     1.42936   110.23411   -64.10658
   58    57 S   HO   _H36    72     0.97212   108.22605   -56.01584
   59    55 S   CT   _C6_    57     1.53180   111.39314   -48.95461
   60    59 S   HC   _H23    58     1.09705   109.06318   -71.45699
   61    55 S   OH5  _O15    69     1.42974   109.68497  -170.36546
   62    61 S   HO   _H34    70     0.97243   108.08905    59.59076
   63    59 S   CT   _C8_    59     1.53204   110.65514    49.79592
   64    63 S   HC   _H25    60     1.09833   110.95228    64.15298
   65    59 S   OH5  _O16    67     1.42614   109.69366   171.69229
   66    65 S   HO   _H35    68     0.97254   108.17864   -57.77424
   67    51 S   OS1  _O14    61     1.42902   110.75055   -69.43838
   68    63 S   CT   _C10    62     1.52983   111.56264  -174.98687
   69    68 S   HC   _H27    63     1.09506   110.99534    69.74216
   70    68 S   HC   _H28    64     1.09393   111.59384   -52.68873
   71    68 S   OH5  _O18    65     1.42510   109.02688  -171.60660
   72    71 S   HO   _H37    66     0.97238   107.03254  -177.16262
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  14   2   1   1   9   2   8   4   3   8   5   4   1   1   7   3
   2   8  13   6  12   7  13   7   4   1  12   7   3   1   9   6
   3   1   4   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    45    42    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    46    42    43    44    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    45    42    43    44    47  
   39    42  
   40    41    45    46    42    43    44    47  
   41    45    46    42  
   45    46    42  
   43    44    47    48    49    50    51    45  
   44    47    48    49    50  
   47    48    49    50  
   46  
    0  
   48    49    50    51    52    53    67  
   49    50    51  
   50    51  
   51    52    53    54    55    63    67    57  
   52    53    54    55    56    59    63    64    67    68    61    57    58  
   53    54    55    63    67    57  
   54    55    56    59    60    63    67    65    61    62    57    58  
   55    56    59    67    61    57    58  
   56    59    60    63    64    67    68    65    66    61    62    57    58  
   59    60    63    65    61    62    57  
   58    59    61    67  
    0  
   60    63    64    67    68    69    70    71    65    66    61    62  
   63    64    67    68    65    66    61  
   62    63    65  
    0  
   64    67    68    69    70    71    72    65    66  
   67    68    69    70    71    65  
   66    67    68  
    0  
   68    69    70    71  
   69    70    71    72  
   70    71    72  
   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  -0.175000   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   3.3000   0.0660   0.107500   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   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   38   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   39   3.5000   0.0660   0.145000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   390.000  1.470
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   650.000  1.157
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   335.000  1.422
   50    51   370.000  1.399
   51    52   360.000  1.097
   51    53   255.000  1.525
   51    67   370.000  1.399
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   355.000  1.421
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   355.000  1.421
   63    64   340.000  1.090
   63    67   335.000  1.422
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   355.000  1.421
   71    72   580.000  0.967
   65    66   580.000  0.967
   61    62   580.000  0.967
   57    58   580.000  0.967
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  110.06000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38   150.00000  180.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    50.00000  109.50000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    47    58.35000  112.70000
   39    33    37    58.35000  112.70000
   39    45    46    55.00000  108.50000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   42    33    37    58.35000  112.70000
   42    33    39    58.35000  112.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    95.00000  107.88500
   44    42    43    45.00000  125.66300
   47    42    43    50.00000  109.50000
   47    42    44    37.50000  110.70000
   47    50    51    90.00000  112.10700
   49    47    48    33.00000  107.80000
   50    47    48    55.00000  108.98800
   50    47    49    55.00000  108.98800
   50    51    52    60.00000  105.75400
   50    51    53    90.00000  109.70700
   50    51    67   110.00000  113.16000
   51    53    54    45.00000  109.54000
   51    53    55    70.00000  111.10000
   51    53    57    90.00000  109.42000
   51    67    63    90.00000  112.10700
   53    51    52    45.00000  111.65000
   53    55    56    37.50000  110.70000
   53    55    59    58.35000  112.70000
   53    55    61    90.00000  111.45300
   53    57    58    65.00000  108.53500
   55    53    54    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    65    90.00000  111.45300
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    67    95.00000  107.88500
   59    63    68    58.35000  112.70000
   59    65    66    65.00000  108.53500
   63    59    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    90.00000  111.45300
   67    51    52    60.00000  105.75400
   67    51    53    90.00000  109.70700
   67    63    64    55.00000  108.98800
   68    63    64    37.50000  110.70000
   68    63    67    95.00000  107.88500
   68    71    72    65.00000  108.53500
   70    68    69    33.00000  107.80000
   71    68    69    60.00000  109.39000
   71    68    70    60.00000  109.39000
   65    59    60    60.00000  109.39000
   65    59    63    90.00000  111.45300
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   57    53    54    60.00000  109.39000
   57    53    55    90.00000  111.45300
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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    47   0.44750  1.0 1.0
   29    33    42    47  -0.17800 -1.0 2.0
   29    33    42    47   0.20200  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   33    42    47    48   0.15000  1.0 3.0
   33    42    47    49   0.15000  1.0 3.0
   33    42    47    50   0.62750  1.0 1.0
   33    42    47    50  -0.30950 -1.0 2.0
   33    42    47    50   0.27300  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    45   0.56750  1.0 1.0
   37    33    39    45  -0.07550 -1.0 2.0
   37    33    39    45   0.20000  1.0 3.0
   37    33    42    43   0.56750  1.0 1.0
   37    33    42    43  -0.07550 -1.0 2.0
   37    33    42    43   0.20000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    47  -0.74000  1.0 1.0
   37    33    42    47   0.24050 -1.0 2.0
   37    33    42    47   0.24650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    42    43   0.62750  1.0 1.0
   39    33    42    43  -0.30950 -1.0 2.0
   39    33    42    43   0.27300  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    47   0.56750  1.0 1.0
   39    33    42    47  -0.07550 -1.0 2.0
   39    33    42    47   0.20000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   41    39    45    46   0.19450  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   42    33    39    45   0.86500  1.0 1.0
   42    33    39    45  -0.17500 -1.0 2.0
   42    33    39    45   0.20800  1.0 3.0
   42    47    50    51   0.06250  1.0 1.0
   42    47    50    51  -0.01100 -1.0 2.0
   42    47    50    51   0.28050  1.0 3.0
   43    42    47    48   0.23400  1.0 3.0
   43    42    47    49   0.23400  1.0 3.0
   43    42    47    50   1.11900  1.0 1.0
   43    42    47    50  -1.16350 -1.0 2.0
   43    42    47    50  -0.34150  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    50   0.23400  1.0 3.0
   47    50    51    52   0.37050  1.0 3.0
   47    50    51    53   0.06250  1.0 1.0
   47    50    51    53  -0.01100 -1.0 2.0
   47    50    51    53   0.28050  1.0 3.0
   47    50    51    67  -0.12700  1.0 1.0
   47    50    51    67  -1.16200 -1.0 2.0
   47    50    51    67   0.58800  1.0 3.0
   48    47    50    51   0.37050  1.0 3.0
   49    47    50    51   0.37050  1.0 3.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.62750  1.0 1.0
   50    51    53    55  -0.30950 -1.0 2.0
   50    51    53    55   0.27300  1.0 3.0
   50    51    53    57   1.51850  1.0 1.0
   50    51    67    63  -0.70400  1.0 1.0
   50    51    67    63  -0.90350 -1.0 2.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    59   0.56750  1.0 1.0
   51    53    55    59  -0.07550 -1.0 2.0
   51    53    55    59   0.20000  1.0 3.0
   51    53    55    61  -0.47750  1.0 1.0
   51    53    57    58   0.29150  1.0 1.0
   51    53    57    58  -0.28350 -1.0 2.0
   51    53    57    58   0.43600  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    57   0.23400  1.0 3.0
   52    51    67    63   0.37050  1.0 3.0
   53    51    67    63   0.06250  1.0 1.0
   53    51    67    63  -0.01100 -1.0 2.0
   53    51    67    63   0.28050  1.0 3.0
   53    55    59    60   0.15000  1.0 3.0
   53    55   -59    63   0.56750  1.0 1.0
   53    55   -59    63  -0.07550 -1.0 2.0
   53    55   -59    63   0.20000  1.0 3.0
   53    55    59    65  -0.47750  1.0 1.0
   53    55    61    62   0.29150  1.0 1.0
   53    55    61    62  -0.28350 -1.0 2.0
   53    55    61    62   0.43600  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    55    61   0.23400  1.0 3.0
   54    53    57    58   0.19450  1.0 3.0
   55    53    57    58   0.29150  1.0 1.0
   55    53    57    58  -0.28350 -1.0 2.0
   55    53    57    58   0.43600  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    67   0.62750  1.0 1.0
   55    59    63    67  -0.30950 -1.0 2.0
   55    59    63    67   0.27300  1.0 3.0
   55    59    63    68   0.56750  1.0 1.0
   55    59    63    68  -0.07550 -1.0 2.0
   55    59    63    68   0.20000  1.0 3.0
   55    59    65    66   0.29150  1.0 1.0
   55    59    65    66  -0.28350 -1.0 2.0
   55    59    65    66   0.43600  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    65   0.23400  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    63   -67    51   0.06250  1.0 1.0
   59    63   -67    51  -0.01100 -1.0 2.0
   59    63   -67    51   0.28050  1.0 3.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    71  -0.47750  1.0 1.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    67   0.23400  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   60    59    65    66   0.19450  1.0 3.0
   63    59    65    66   0.29150  1.0 1.0
   63    59    65    66  -0.28350 -1.0 2.0
   63    59    65    66   0.43600  1.0 3.0
   63    68    71    72   0.29150  1.0 1.0
   63    68    71    72  -0.28350 -1.0 2.0
   63    68    71    72   0.43600  1.0 3.0
   64    63    67    51   0.37050  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.23400  1.0 3.0
   67    51    53    54   0.23400  1.0 3.0
   67    51   -53    55   0.62750  1.0 1.0
   67    51   -53    55  -0.30950 -1.0 2.0
   67    51   -53    55   0.27300  1.0 3.0
   67    51    53    57   1.51850  1.0 1.0
   67    63    68    69   0.23400  1.0 3.0
   67    63    68    70   0.23400  1.0 3.0
   67    63    68    71   1.51850  1.0 1.0
   68    63    67    51   0.06250  1.0 1.0
   68    63    67    51  -0.01100 -1.0 2.0
   68    63    67    51   0.28050  1.0 3.0
   69    68    71    72   0.19450  1.0 3.0
   70    68    71    72   0.19450  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    67   1.51850  1.0 1.0
   65    59    63    68  -0.47750  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63  -0.47750  1.0 1.0
   61    55    59    65   3.77950  1.0 1.0
   57    53    55    56   0.23400  1.0 3.0
   57    53    55    59  -0.47750  1.0 1.0
   57    53    55    61   3.77950  1.0 1.0
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
END
