* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     424
    1     0 S   NP   _N1_     1    29.01738    96.95887   -16.83566
    2     1 S   H    _HN1     2     1.02971    89.40035    24.30820
    3     1 S   H    _H1_     3     1.02839    54.68694   135.81295
    4     1 S   H    _H2_     4     1.02775    65.16839   -86.24705
    5     1 S   CT   _CA1     5     1.50085   159.11042  -173.83248
    6     5 S   HC   _HA1     6     1.09573   105.31579    16.88576
    7     5 S   CO3  _C1_     7     1.53845   112.28872  -103.40014
    8     7 S   O2Z  _O11     8     1.26326   115.02882   -46.48168
    9     7 S   O2Z  _O12     9     1.26239   114.91994   132.80097
   10     5 S   CT   _CB1    10     1.53101   107.42721   134.78184
   11    10 S   HC   HB11    11     1.09818   109.51951   -51.86179
   12    10 S   HC   HB12    12     1.09784   110.25160    64.57010
   13    10 S   CT   _CG1    13     1.52987   112.57414  -172.94893
   14    13 S   HC   HG11    14     1.09601   110.38544   -59.23649
   15    13 S   HC   HG12    15     1.09631   110.05060    59.87701
   16    13 S   C    _CD1    16     1.51822   112.44323  -179.56121
   17    16 S   O    _OE1    17     1.22707   123.30140    -7.19369
   18    16 S   N    _N2_    18     1.38491   111.47407   172.44984
   19    18 S   H    _HN2    19     1.01612   118.90697     5.22611
   20    18 S   CT1  _CA2    20     1.45627   123.57677  -179.98022
   21    20 S   HC   _HA2    21     1.09681   109.43319     1.50740
   22    20 S   C    _C2_    22     1.52851   106.42817  -115.40058
   23    22 S   O    _O2_    23     1.22987   122.91257   -27.78760
   24    20 S   CT   _CB2    32     1.53292   112.26291   124.95385
   25    24 S   HC   HB21    33     1.09513   111.36007    51.03073
   26    24 S   HC   HB22    34     1.09577   109.68103   168.64681
   27    22 S   N    _N3_    24     1.38454   112.64215   154.97879
   28    27 S   H    _HN3    25     1.01656   120.40752    -2.07018
   29    24 S   S    _SG2    35     1.82965   112.53195   -73.53230
   30    27 S   CT   _CA3    26     1.45365   122.48302   178.58750
   31    30 S   HC   HA31    27     1.09566   107.79152   -56.30337
   32    30 S   HC   HA32    28     1.09562   107.63422    60.03781
   33    29 S   CT   _C15    36     1.85779   100.96746    92.53180
   34    33 S   HC   _H6_    37     1.09434   106.65327   -34.59039
   35    30 S   CO3  _C3_    29     1.52890   114.30265  -178.18447
   36    35 S   O2Z  _O31    30     1.26337   116.04417     0.06256
   37    35 S   O2Z  _O32    31     1.26432   114.41506  -179.96574
   38    33 S   CT   _C14    38     1.53637   107.66273    81.38487
   39    38 S   HC   _H16    39     1.09627   111.47852   -45.28986
   40    38 S   HC   _H17    40     1.09601   110.64025  -162.60946
   41    38 S   CO4  _C13    41     1.51376   113.03264    77.08561
   42    41 S   O    _O33    42     1.22934   121.49937  -141.79590
   43    41 S   CM   _C11    43     1.49494   116.79294    42.13002
   44    43 S   CT   _C10    44     1.51615   116.31660   -42.40974
   45    44 S   HC   _H5_    45     1.09959   105.59174   -68.86676
   46    43 S   CM   _C12    71     1.34111   115.78710   136.78264
   47    46 S   HC   _H14    72     1.08389   122.08403  -179.44609
   48    46 S   HC   _H15    73     1.08612   121.88388     0.23407
   49    44 S   CT   _C9_    46     1.54131   114.49927   175.68462
   50    49 S   HC   _H12    47     1.09646   109.74638   -61.03194
   51    49 S   HC   _H13    48     1.09796   109.36696    55.13015
   52    49 S   CT   _C8_    49     1.53830   112.89350   174.92522
   53    52 S   HC   _H4_    50     1.09734   108.68722   -71.29460
   54    52 S   CT   _C7_    51     1.52076   112.96056    50.19876
   55    54 S   HC   _H3_    52     1.09901   110.41696  -163.88485
   56    54 S   CT   _C6_    53     1.52717   115.66473   -41.98067
   57    56 S   HC   _H10    54     1.09557   109.10351   166.15993
   58    56 S   HC   _H11    55     1.09444   105.45442   -79.60188
   59    54 S   OS   _O35    61     1.43181   104.48437    82.53416
   60    33 S   CT   _C5_    56     1.58081   114.13319  -153.44330
   61    59 S   CO4  _C17    62     1.37232   108.76427    28.76296
   62    61 S   O    _O34    63     1.22123   124.43877   173.10650
   63    60 S   CT   _C4_    57     1.55727   107.44350   171.82673
   64    63 S   HC   _H7_    58     1.09371   112.64870    62.15824
   65    63 S   HC   _H8_    59     1.09641   110.57316   -57.87003
   66    63 S   HC   _H9_    60     1.09175   112.89158  -177.73195
   67    52 S   CT   _C16    64     1.53296   113.66687   163.65422
   68    67 S   CT   _C18    65     1.52063   116.30084    36.44143
   69    68 S   HC   _H18    66     1.09541   110.66334    57.11929
   70    68 S   HC   _H19    67     1.09417   112.61476   -65.04478
   71    68 S   HC   _H20    68     1.09644   110.76460   175.02929
   72    67 S   OH   _O36    69     1.42505   109.15129   160.44953
   73    72 S   HO   _H21    70     0.97315   108.06849   176.48882
  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  10   5   4   3
  19   8   2   1   1  10   5   4   9   3  12  19   8   4   1   1
  14   6   5  17   8  12   7  10   4   3   6   4   8   3   3   2
   1   1   6   5   3   2   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    56    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    54    56    57    58    60    63    64    65    66  
   38    39    40    41    44    56    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    56    60    63    46  
   40    41    42    43    60  
   41    42    43    60  
   42    43    44    45    49    60    46    47    48  
   43    44    46  
   44    45    49    50    51    52    56    60    63    46    47    48  
   45    49    50    51    52    53    54    56    57    58    60    63    64    65    66    67    46    47    48  
   49    50    51    52    56    60    63    46  
   47    48    49    60  
   48  
    0  
   50    51    52    53    54    55    56    60    63    59    61    67    68    72  
   51    52    53    54    60    67  
   52    53    54    60    67  
   53    54    55    56    57    58    60    59    61    62    67    68    69    70    71    72    73  
   54    55    56    59    61    67    68    72  
   55    56    57    58    60    63    59    61    62    67    68    72  
   56    57    58    60    59    61    67  
   57    58    60    63    64    65    66    59    61    67  
   58    60    63    59  
   60    63    59  
   61    62    67    68    72    60  
   63    64    65    66  
   62    67    68    69    70    71    72    73  
   67    68    72  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    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   268.000  1.529
   33    60   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   317.000  1.510
   43    46   549.000  1.340
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    60   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    67   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    61   214.000  1.327
   61    62   570.000  1.229
   61    67   317.000  1.522
   67    68   268.000  1.529
   67    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   46    47   340.000  1.080
   46    48   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    60    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    60    44    58.35000  112.70000
   33    60    56    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    65.00000  116.34900
   41    43    46    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    44    45    35.00000  109.50000
   43    44    49    70.00000  112.02700
   43    44    60    70.00000  112.02700
   43    46    47    35.00000  120.00000
   43    46    48    35.00000  120.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    58.35000  112.70000
   44    60    56    58.35000  112.70000
   44    60    63    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    58.35000  112.70000
   52    54    59    50.00000  109.50000
   52    67    61    63.00000  111.10000
   52    67    68    58.35000  112.70000
   52    67    72    50.00000  109.50000
   54    52    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    59    61    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    60    63    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    33    34    37.50000  110.70000
   60    33    38    58.35000  112.70000
   60    44    45    37.50000  110.70000
   60    44    49    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    50.00000  109.50000
   59    61    62    83.00000  123.40000
   59    61    67    81.00000  111.40000
   61    67    68    63.00000  111.10000
   61    67    72    90.00000  109.61100
   67    52    53    37.50000  110.70000
   67    52    54    58.35000  112.70000
   67    61    62    80.00000  120.40000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    50.00000  109.50000
   46    43    44    70.00000  124.00000
   48    46    47    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    60    44   0.44750  1.0 1.0
   29    33    60    44  -0.17800 -1.0 2.0
   29    33    60    44   0.20200  1.0 3.0
   29    33    60    56   0.44750  1.0 1.0
   29    33    60    56  -0.17800 -1.0 2.0
   29    33    60    56   0.20200  1.0 3.0
   29    33    60    63   0.44750  1.0 1.0
   29    33    60    63  -0.17800 -1.0 2.0
   29    33    60    63   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    60    63    64   0.15000  1.0 3.0
   33    60    63    65   0.15000  1.0 3.0
   33    60    63    66   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    60    44   0.15000  1.0 3.0
   34    33    60    56   0.15000  1.0 3.0
   34    33    60    63   0.15000  1.0 3.0
   38    33    60    44   0.56750  1.0 1.0
   38    33    60    44  -0.07550 -1.0 2.0
   38    33    60    44   0.20000  1.0 3.0
   38    33    60    56   0.56750  1.0 1.0
   38    33    60    56  -0.07550 -1.0 2.0
   38    33    60    56   0.20000  1.0 3.0
   38    33    60    63   0.56750  1.0 1.0
   38    33    60    63  -0.07550 -1.0 2.0
   38    33    60    63   0.20000  1.0 3.0
   38    41   -43    44   0.25700  1.0 1.0
   38    41   -43    44   0.66200 -1.0 2.0
   38    41   -43    44   0.04450  1.0 3.0
   38    41    43    46  -0.33500  1.0 1.0
   38    41    43    46   1.06600 -1.0 2.0
   38    41    43    46  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    49   0.09700  1.0 1.0
   41    43    44    49   0.15600 -1.0 2.0
   41    43    44    49  -0.50800  1.0 3.0
   41    43    44    60   0.09700  1.0 1.0
   41    43    44    60   0.15600 -1.0 2.0
   41    43    44    60  -0.50800  1.0 3.0
   41    43    46    47   7.00000 -1.0 2.0
   41    43    46    48   7.00000 -1.0 2.0
   42    41    43    44  -0.64400  1.0 1.0
   42    41    43    44   0.26850 -1.0 2.0
   42    41    43    46   1.00000 -1.0 2.0
   43    44    49    50   0.15000  1.0 3.0
   43    44    49    51   0.15000  1.0 3.0
   43    44    49    52   0.34400  1.0 1.0
   43    44    49    52   0.09450 -1.0 2.0
   43    44    49    52   0.11100  1.0 3.0
   43    44   -60    33   0.34400  1.0 1.0
   43    44   -60    33   0.09450 -1.0 2.0
   43    44   -60    33   0.11100  1.0 3.0
   43    44    60    56   0.34400  1.0 1.0
   43    44    60    56   0.09450 -1.0 2.0
   43    44    60    56   0.11100  1.0 3.0
   43    44    60    63   0.34400  1.0 1.0
   43    44    60    63   0.09450 -1.0 2.0
   43    44    60    63   0.11100  1.0 3.0
   44    43    46    47   7.00000 -1.0 2.0
   44    43    46    48   7.00000 -1.0 2.0
   44    49    52    53   0.15000  1.0 3.0
   44    49    52    54   0.56750  1.0 1.0
   44    49    52    54  -0.07550 -1.0 2.0
   44    49    52    54   0.20000  1.0 3.0
   44    49    52    67   0.56750  1.0 1.0
   44    49    52    67  -0.07550 -1.0 2.0
   44    49    52    67   0.20000  1.0 3.0
   44    60    63    64   0.15000  1.0 3.0
   44    60    63    65   0.15000  1.0 3.0
   44    60    63    66   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   45    44    60    33   0.15000  1.0 3.0
   45    44    60    56   0.15000  1.0 3.0
   45    44    60    63   0.15000  1.0 3.0
   49    44    60    33   0.56750  1.0 1.0
   49    44    60    33  -0.07550 -1.0 2.0
   49    44    60    33   0.20000  1.0 3.0
   49    44    60    56   0.56750  1.0 1.0
   49    44    60    56  -0.07550 -1.0 2.0
   49    44    60    56   0.20000  1.0 3.0
   49    44    60    63   0.56750  1.0 1.0
   49    44    60    63  -0.07550 -1.0 2.0
   49    44    60    63   0.20000  1.0 3.0
   49    52    54    55   0.15000  1.0 3.0
   49    52   -54    56   0.56750  1.0 1.0
   49    52   -54    56  -0.07550 -1.0 2.0
   49    52   -54    56   0.20000  1.0 3.0
   49    52    54    59   0.62750  1.0 1.0
   49    52    54    59  -0.30950 -1.0 2.0
   49    52    54    59   0.27300  1.0 3.0
   49    52    67    61  -0.95700  1.0 1.0
   49    52    67    61  -0.18200 -1.0 2.0
   49    52    67    61   0.29450  1.0 3.0
   49    52    67    68   0.56750  1.0 1.0
   49    52    67    68  -0.07550 -1.0 2.0
   49    52    67    68   0.20000  1.0 3.0
   49    52    67    72   0.86500  1.0 1.0
   49    52    67    72  -0.17500 -1.0 2.0
   49    52    67    72   0.20800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    67   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    67   0.15000  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54    56    60   0.56750  1.0 1.0
   52    54    56    60  -0.07550 -1.0 2.0
   52    54    56    60   0.20000  1.0 3.0
   52    54   -59    61  -0.25900  1.0 1.0
   52    54   -59    61  -0.47000 -1.0 2.0
   52    54   -59    61   0.11750  1.0 3.0
   52    67    68    69   0.15000  1.0 3.0
   52    67    68    70   0.15000  1.0 3.0
   52    67    68    71   0.15000  1.0 3.0
   52    67    72    73  -0.11600  1.0 1.0
   52    67    72    73  -0.09450 -1.0 2.0
   52    67    72    73   0.21250  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.23400  1.0 3.0
   53    52    67    61  -0.11250  1.0 3.0
   53    52    67    68   0.15000  1.0 3.0
   53    52    67    72   0.23400  1.0 3.0
   54    52   -67    61  -0.95700  1.0 1.0
   54    52   -67    61  -0.18200 -1.0 2.0
   54    52   -67    61   0.29450  1.0 3.0
   54    52    67    68   0.56750  1.0 1.0
   54    52    67    68  -0.07550 -1.0 2.0
   54    52    67    68   0.20000  1.0 3.0
   54    52    67    72   0.86500  1.0 1.0
   54    52    67    72  -0.17500 -1.0 2.0
   54    52    67    72   0.20800  1.0 3.0
   54    56    60    33   0.56750  1.0 1.0
   54    56    60    33  -0.07550 -1.0 2.0
   54    56    60    33   0.20000  1.0 3.0
   54    56   -60    44   0.56750  1.0 1.0
   54    56   -60    44  -0.07550 -1.0 2.0
   54    56   -60    44   0.20000  1.0 3.0
   54    56    60    63   0.56750  1.0 1.0
   54    56    60    63  -0.07550 -1.0 2.0
   54    56    60    63   0.20000  1.0 3.0
   54    59    61    62   3.00000 -1.0 2.0
   54    59   -61    67   1.63150  1.0 1.0
   54    59   -61    67   2.92000 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    59    61   0.08050  1.0 3.0
   56    54    59    61  -0.25900  1.0 1.0
   56    54    59    61  -0.47000 -1.0 2.0
   56    54    59    61   0.11750  1.0 3.0
   56    60    63    64   0.15000  1.0 3.0
   56    60    63    65   0.15000  1.0 3.0
   56    60    63    66   0.15000  1.0 3.0
   57    56    60    33   0.15000  1.0 3.0
   57    56    60    44   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    33   0.15000  1.0 3.0
   58    56    60    44   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   60    33    38    39   0.15000  1.0 3.0
   60    33    38    40   0.15000  1.0 3.0
   60    33   -38    41  -0.95700  1.0 1.0
   60    33   -38    41  -0.18200 -1.0 2.0
   60    33   -38    41   0.29450  1.0 3.0
   60    44    49    50   0.15000  1.0 3.0
   60    44    49    51   0.15000  1.0 3.0
   60    44   -49    52   0.56750  1.0 1.0
   60    44   -49    52  -0.07550 -1.0 2.0
   60    44   -49    52   0.20000  1.0 3.0
   59    54    56    57   0.23400  1.0 3.0
   59    54    56    58   0.23400  1.0 3.0
   59    54    56    60   0.62750  1.0 1.0
   59    54    56    60  -0.30950 -1.0 2.0
   59    54    56    60   0.27300  1.0 3.0
   59    61   -67    52   0.36750  1.0 3.0
   59    61    67    68   0.36750  1.0 3.0
   59    61    67    72   0.30750  1.0 1.0
   59    61    67    72   1.13850 -1.0 2.0
   59    61    67    72   0.38850  1.0 3.0
   61    67    68    69  -0.11250  1.0 3.0
   61    67    68    70  -0.11250  1.0 3.0
   61    67    68    71  -0.11250  1.0 3.0
   61    67    72    73   0.91850  1.0 1.0
   61    67    72    73   0.57950  1.0 3.0
   62    61    67    52   0.30150 -1.0 2.0
   62    61    67    68   0.30150 -1.0 2.0
   62    61    67    72   0.30150 -1.0 2.0
   67    52    54    55   0.15000  1.0 3.0
   67    52    54    56   0.56750  1.0 1.0
   67    52    54    56  -0.07550 -1.0 2.0
   67    52    54    56   0.20000  1.0 3.0
   67    52   -54    59   0.62750  1.0 1.0
   67    52   -54    59  -0.30950 -1.0 2.0
   67    52   -54    59   0.27300  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
   46    43    44    45   0.00000  1.0 1.0
   46    43    44    49   0.09850  1.0 1.0
   46    43    44    49   0.15250 -1.0 2.0
   46    43    44    49  -0.50650  1.0 3.0
   46    43    44    60   0.09850  1.0 1.0
   46    43    44    60   0.15250 -1.0 2.0
   46    43    44    60  -0.50650  1.0 3.0
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
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    46   1.10000 -1.0 2.0
   59    67    61    62  10.50000 -1.0 2.0
   47    48    46    43   1.10000 -1.0 2.0
END
