* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    119    177     343
    1     0 S   NP   _N1_     1    28.86169    96.87787   -23.93141
    2     1 S   H    _HN1     2     1.02947    68.73896     2.86533
    3     1 S   H    _H1_     3     1.02826    39.23640   169.96215
    4     1 S   H    _H2_     4     1.02797   112.49182   -98.97325
    5     1 S   CT   _CA1     5     1.50131   132.66881   101.51926
    6     5 S   HC   _HA1     6     1.09573   105.14803    98.23776
    7     5 S   CO3  _C1_     7     1.53765   112.49621   -21.95363
    8     7 S   O2Z  _O11     8     1.26379   114.99991   -41.60593
    9     7 S   O2Z  _O12     9     1.26236   114.94449   137.38660
   10     5 S   CT   _CB1    10     1.53054   107.40137  -143.78297
   11    10 S   HC   HB11    11     1.09844   109.31380   -49.16275
   12    10 S   HC   HB12    12     1.09810   110.47541    67.42641
   13    10 S   CT   _CG1    13     1.53031   112.66323  -170.08944
   14    13 S   HC   HG11    14     1.09564   110.75947   -67.99103
   15    13 S   HC   HG12    15     1.09669   109.67418    51.26635
   16    13 S   C    _CD1    16     1.51815   111.91478   171.76641
   17    16 S   O    _OE1    17     1.22762   123.13780    13.99067
   18    16 S   N    _N2_    18     1.38648   111.88988  -165.97172
   19    18 S   H    _HN2    19     1.01566   118.98620     0.96793
   20    18 S   CT1  _CA2    20     1.46233   123.37036   176.28828
   21    20 S   HC   _HA2    21     1.09738   109.26168     8.83571
   22    20 S   C    _C2_    22     1.53715   108.82053  -106.68658
   23    22 S   O    _O2_    23     1.23086   122.24485  -148.22640
   24    20 S   CT   _CB2    32     1.53334   111.70901   130.84627
   25    24 S   HC   HB21    33     1.09591   110.13543    56.72963
   26    24 S   HC   HB22    34     1.09456   109.98642   175.72822
   27    22 S   N    _N3_    24     1.38311   113.89404    39.21701
   28    27 S   H    _HN3    25     1.01532   119.62715    -2.95691
   29    24 S   S    _SG2    35     1.82686   111.61807   -64.03964
   30    27 S   CT   _CA3    26     1.45285   123.32294   177.32607
   31    30 S   HC   HA31    27     1.09546   107.48639   -65.58005
   32    30 S   HC   HA32    28     1.09554   108.03727    50.89688
   33    29 S   CT   _C11    36     1.86008    99.48681  -179.94065
   34    33 S   HC   _H6_    37     1.09836   106.72526   -32.53131
   35    30 S   CO3  _C3_    29     1.52988   114.01138   172.91177
   36    35 S   O2Z  _O31    30     1.26389   116.07077    -0.67144
   37    35 S   O2Z  _O32    31     1.26422   114.42304   179.39284
   38    33 S   CM   _C12    38     1.51253   106.77254    83.13204
   39    38 S   HC   _H14    39     1.08725   117.52406   -69.87599
   40    38 S   CM   _C13    40     1.34229   124.12742   112.06490
   41    40 S   HC   _H15    41     1.08779   117.96697   177.14988
   42    40 S   CT   _C8_    42     1.51003   123.84780    -0.75796
   43    42 S   HC   _H3_    43     1.09754   105.91546   105.81633
   44    42 S   CT   _C9_    44     1.55026   113.16416   -12.85715
   45    44 S   HC   _H4_    45     1.09850   108.87321   162.41251
   46    42 S   S    _S1_    51     1.84125   108.42833  -140.20872
   47    33 S   CT   _C10    46     1.57031   116.87873  -152.27191
   48    47 S   OM   _O33    47     1.32522   111.00141    45.43066
   49    47 S   HC   _H5_    48     1.10374   104.36158   171.87733
   50    44 S   OH   _O34    49     1.43049   110.33860   -80.68131
   51    50 S   HO   _H16    50     0.97421   105.95794   160.82581
   52    46 S   CT   _C7_    52     1.82087    99.74981  -172.10375
   53    52 S   HC   _H12    53     1.09496   109.26057    50.57545
   54    52 S   HC   _H13    54     1.09373   109.03134   -67.72691
   55    52 S   CT   _C6_    55     1.52827   109.91702   171.52115
   56    55 S   HC   _H10    56     1.09849   109.70223   -57.63877
   57    55 S   HC   _H11    57     1.09748   110.36247    59.51958
   58    55 S   C3T  _C5_    58     1.50628   111.64026  -179.49217
   59    58 S   NN   _N4_    59     1.42583   117.43998   136.27825
   60    58 S   CT   _C4_    61     1.49548   117.97904   -74.11220
   61    60 S   HC   _H7_    62     1.09581   111.88718  -173.48892
   62    60 S   HC   _H8_    63     1.09437   110.73360    66.47040
   63    60 S   HC   _H9_    64     1.09478   110.48856   -53.53061
   64    58 S   NN   _N5_    60     1.42504   117.87511    77.31171
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   9   4  13   6   8   6   9   4   2
   1   1   1   9   5   4   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    47    48    49    50  
   38    39    40    44    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    49    46  
   40    41    42    47  
   41    42    43    44    45    47    50    46    52  
   42    43    44    46  
   43    44    45    47    48    49    50    51    46    52    53    54    55  
   44    45    47    50    46    52  
   45    47    48    49    50    51    46    52  
   47    48    49    50    51    46  
   52    53    54    55    56    57    58    47    50  
   48    49    50    51  
   49    50  
   50  
   51  
    0  
   53    54    55    56    57    58    59    64    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    64    60    61    62    63  
   57    58    59    64    60  
   58    59    64    60  
   59    64    60    61    62    63  
   64    60    61    62    63  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   47   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.245000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.122500   1.8375   1.6250   0.005000000   0.000000000
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   222.000  1.810
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    50   320.000  1.410
   47    48   570.000  1.307
   47    49   340.000  1.090
   50    51   553.000  0.945
   46    52   222.000  1.810
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   275.000  1.510
   58    59   255.000  1.500
   58    64   255.000  1.500
   58    60   275.000  1.510
   59    64   470.000  1.265
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    44    58.35000  112.70000
   33    47    48    50.00000  109.50000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    75.00000  112.20000
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    47    58.35000  112.70000
   42    44    50    50.00000  109.50000
   42    46    52    62.00000   98.90000
   44    42    43    37.50000  110.70000
   44    47    48    50.00000  109.50000
   44    47    49    37.50000  110.70000
   44    50    51    55.00000  108.50000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    44    45    37.50000  110.70000
   49    47    48    45.00000  125.66300
   50    44    45    35.00000  109.50000
   50    44    47    50.00000  109.50000
   46    42    43    35.00000  109.50000
   46    42    44    75.00000  111.63000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    75.00000  111.63000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    70.00000  112.37300
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    85.00000  105.04000
   55    58    64    85.00000  105.04000
   55    58    60    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    45.00000  109.38400
   58    55    57    45.00000  109.38400
   58    59    64    10.00000   60.00000
   58    64    59    10.00000   60.00000
   58    60    61    45.00000  109.38400
   58    60    62    45.00000  109.38400
   58    60    63    45.00000  109.38400
   64    58    59    10.00000   60.00000
   60    58    59    85.00000  105.04000
   60    58    64    85.00000  105.04000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.15000  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    44   0.34400  1.0 1.0
   38    33    47    44   0.09450 -1.0 2.0
   38    33    47    44   0.11100  1.0 3.0
   38    33    47    48   0.61850  1.0 1.0
   38    33    47    48  -0.22750 -1.0 2.0
   38    33    47    48   0.15300  1.0 3.0
   38    33    47    49   0.15000  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.42700  1.0 1.0
   38    40    42    46  -0.70350 -1.0 2.0
   38    40    42    46  -0.43150  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    47   0.34400  1.0 1.0
   40    42    44    47   0.09450 -1.0 2.0
   40    42    44    47   0.11100  1.0 3.0
   40    42    44    50   1.05650  1.0 1.0
   40    42    44    50   0.15600 -1.0 2.0
   40    42    44    50   0.53150  1.0 3.0
   40    42    46    52  -0.62250  1.0 1.0
   40    42    46    52  -0.38450 -1.0 2.0
   40    42    46    52   0.81900  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -47    33   0.56750  1.0 1.0
   42    44   -47    33  -0.07550 -1.0 2.0
   42    44   -47    33   0.20000  1.0 3.0
   42    44    47    48   0.62750  1.0 1.0
   42    44    47    48  -0.30950 -1.0 2.0
   42    44    47    48   0.27300  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    50    51  -0.11600  1.0 1.0
   42    44    50    51  -0.09450 -1.0 2.0
   42    44    50    51   0.21250  1.0 3.0
   42    46    52    53   0.32350  1.0 3.0
   42    46    52    54   0.32350  1.0 3.0
   42    46    52    55   0.01700  1.0 1.0
   42    46    52    55  -0.23550 -1.0 2.0
   42    46    52    55   0.21350  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    50   0.23400  1.0 3.0
   43    42    46    52   0.32350  1.0 3.0
   44    42    46    52   0.01700  1.0 1.0
   44    42    46    52  -0.23550 -1.0 2.0
   44    42    46    52   0.21350  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.23400  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    44    50    51  -0.11600  1.0 1.0
   47    44    50    51  -0.09450 -1.0 2.0
   47    44    50    51   0.21250  1.0 3.0
   50    44    47    33   0.86500  1.0 1.0
   50    44    47    33  -0.17500 -1.0 2.0
   50    44    47    33   0.20800  1.0 3.0
   50    44    47    48   3.69350  1.0 1.0
   50    44    47    48  -1.82950 -1.0 2.0
   50    44    47    49   0.23400  1.0 3.0
   46    42    44    45   0.15000  1.0 3.0
   46    42    44    47   0.44750  1.0 1.0
   46    42    44    47  -0.17800 -1.0 2.0
   46    42    44    47   0.20200  1.0 3.0
   46    42    44    50   0.56750  1.0 1.0
   46    42    44    50  -0.07550 -1.0 2.0
   46    42    44    50   0.20000  1.0 3.0
   46    52    55    56   0.15000  1.0 3.0
   46    52    55    57   0.15000  1.0 3.0
   46    52    55    58   0.44750  1.0 1.0
   46    52    55    58  -0.17800 -1.0 2.0
   46    52    55    58   0.20200  1.0 3.0
   52    55    58    59   0.56750  1.0 1.0
   52    55    58    59  -0.07550 -1.0 2.0
   52    55    58    59   0.20000  1.0 3.0
   52    55    58    64   0.56750  1.0 1.0
   52    55    58    64  -0.07550 -1.0 2.0
   52    55    58    64   0.20000  1.0 3.0
   52    55    58    60   0.56750  1.0 1.0
   52    55    58    60  -0.07550 -1.0 2.0
   52    55    58    60   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58   -59    64   0.00000  1.0 1.0
   55    58   -64    59   0.00000  1.0 1.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    64   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    64   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   64    58    60    61   0.15000  1.0 3.0
   64    58    60    62   0.15000  1.0 3.0
   64    58    60    63   0.15000  1.0 3.0
   60    58   -59    64   0.00000  1.0 1.0
   60    58   -64    59   0.00000  1.0 1.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
END
