* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    121    190     359
    1     0 S   NP   _N1_     1    29.93189    92.58844   -25.72811
    2     1 S   H    _HN1     2     1.02955    98.74200     2.69835
    3     1 S   H    _H1_     3     1.02829     8.47174   174.73687
    4     1 S   H    _H2_     4     1.02794   110.31178  -110.60279
    5     1 S   CT   _CA1     5     1.50122   115.90690   120.57706
    6     5 S   HC   _HA1     6     1.09564   105.28907    66.83006
    7     5 S   CO3  _C1_     7     1.53808   112.40094   -53.58660
    8     7 S   O2Z  _O11     8     1.26376   115.05363   -44.21814
    9     7 S   O2Z  _O12     9     1.26231   114.93104   135.00553
   10     5 S   CT   _CB1    10     1.52992   107.33374  -175.13816
   11    10 S   HC   HB11    11     1.09831   109.48642   -49.72838
   12    10 S   HC   HB12    12     1.09740   110.19905    66.73934
   13    10 S   CT   _CG1    13     1.53029   112.81174  -170.91546
   14    13 S   HC   HG11    14     1.09578   110.56661   -62.20049
   15    13 S   HC   HG12    15     1.09632   110.05532    57.25033
   16    13 S   C    _CD1    16     1.51661   111.90961   177.63231
   17    16 S   O    _OE1    17     1.22731   123.18206    -0.90266
   18    16 S   N    _N2_    18     1.38618   112.08816   178.90621
   19    18 S   H    _HN2    19     1.01582   119.20218     3.50688
   20    18 S   CT1  _CA2    20     1.46069   122.88762  -179.28399
   21    20 S   HC   _HA2    21     1.09631   109.17308     4.49292
   22    20 S   C    _C2_    22     1.53537   109.56439  -110.84664
   23    22 S   O    _O2_    23     1.23091   122.00375  -151.73872
   24    20 S   CT   _CB2    32     1.53407   111.96920   126.22643
   25    24 S   HC   HB21    33     1.09660   109.60717    68.44022
   26    24 S   HC   HB22    34     1.09588   110.49779  -174.56978
   27    22 S   N    _N3_    24     1.38240   113.96593    35.68454
   28    27 S   H    _HN3    25     1.01579   119.62766    -3.30020
   29    24 S   S    _SG2    35     1.82921   115.49445   -51.48503
   30    27 S   CT   _CA3    26     1.45292   123.17900   177.03654
   31    30 S   HC   HA31    27     1.09551   107.49560   -64.88525
   32    30 S   HC   HA32    28     1.09558   107.99994    51.54918
   33    29 S   CT   _C13    36     1.82730   100.40794   -59.04645
   34    33 S   HC   _H13    37     1.09465   107.83805   -54.49829
   35    33 S   HC   _H14    38     1.09121   108.69011    63.74899
   36    30 S   CO3  _C3_    29     1.52950   114.10120   173.56346
   37    36 S   O2Z  _O31    30     1.26369   116.06594    -0.63087
   38    36 S   O2Z  _O32    31     1.26430   114.41034   179.44609
   39    33 S   CT   _C12    39     1.53334   109.97909  -175.76169
   40    39 S   HC   _H5_    40     1.09492   109.66679   -41.29726
   41    39 S   CDS  _C11    41     1.53885   112.79757  -161.36028
   42    41 S   SD   _S1_    42     1.69145   120.89277   -63.91324
   43    39 S   OH   _O34    67     1.42228   110.79176    76.09185
   44    43 S   HO   _H15    68     0.97289   107.86847    58.31493
   45    41 S   CT   _C10    43     1.53849   119.57333   116.90707
   46    45 S   HC   _H4_    44     1.09705   109.28293   178.42654
   47    45 S   CT   _C5_    45     1.55186   112.19786   -60.80450
   48    47 S   HC   _H3_    46     1.09605   109.87978    54.56263
   49    45 S   SH   _S2_    65     1.83546   107.12705    64.95929
   50    49 S   HS   _H16    66     1.34152    96.60287    60.83142
   51    47 S   CT   _C4_    47     1.55424   114.38134   176.13984
   52    51 S   HC   _H6_    48     1.09703   108.62181  -166.29130
   53    51 S   HC   _H7_    49     1.09266   112.98239   -48.46668
   54    51 S   NE   _N8_    50     1.45931   110.88661    75.72558
   55    54 S   H    _H12    51     1.01360   118.97967  -157.73301
   56    54 S   CM   _C7_    52     1.38615   122.14852    37.95949
   57    56 S   CM   _C6_    53     1.35261   118.05786   -13.03628
   58    57 S   C    _C9_    54     1.50540   119.12973   178.70095
   59    58 S   O    _O33    55     1.22878   119.41299   179.29196
   60    47 S   NE   _N4_    63     1.46862   108.60615   -63.35402
   61    60 S   H    _H8_    64     1.01629   120.28736    82.56603
   62    58 S   NI   _N6_    56     1.38503   117.82578    -0.23490
   63    62 S   CDX  _C8_    57     1.30495   119.38439     0.90027
   64    56 S   NE   _N5_    58     1.37245   123.38010   166.43726
   65    64 S   H    _H9_    59     1.01190   116.97061     1.06091
   66    63 S   NE   _N7_    60     1.36629   122.40263   179.68973
   67    66 S   H    _H10    61     1.01378   120.41041    -0.27625
   68    66 S   H    _H11    62     1.01266   122.06198  -179.52071
  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   7   5   4   3
   9   5   4   2   1   1   9   5  11   5   2   1  12   6  13   8
   3   1   9   5   4   8   3  10   8   7   3   3   1   6   5   4
   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    47    49    43    44  
   41    42    45    43    44  
   42    45    46    47    48    51    60    49    50    43    44  
   45    46    47    49    43  
   44    45  
    0  
   46    47    48    51    52    53    54    57    60    61    49    50  
   47    48    51    60    49    50  
   48    51    52    53    54    55    56    57    58    60    61    49    50  
   51    52    53    54    57    60    61    49  
   50    51    60  
    0  
   52    53    54    55    56    57    64    60    61  
   53    54    55    56    60  
   54    55    56    60  
   55    56    57    58    63    64    65    60  
   56    57    64  
   57    58    59    62    63    64    65    66    60    61  
   58    59    62    63    64    65    60    61  
   59    62    63    64    66    60    61  
   62    63    60  
   61    62    64  
    0  
   63    64    65    66    67    68  
   64    65    66    67    68  
   65    66    67    68  
   66  
   67    68  
   68  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.476200   2.0020   1.7750   0.023028004  -0.852763146
   42   4.1000   0.3950  -0.476200   2.3050   2.0500   0.025682759  -1.666211680
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   50   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   63   3.7500   0.1050   0.729100   2.1120   1.8750   0.001000000  -0.126889456
   64   3.2500   0.1700  -0.507500   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   285.000  1.501
   39    43   320.000  1.410
   41    42   340.000  1.659
   41    45   285.000  1.501
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   222.000  1.810
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    60   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   382.000  1.448
   54    55   434.000  1.010
   54    56   425.000  1.378
   56    57   549.000  1.340
   56    64   425.000  1.378
   57    58   410.000  1.444
   57    60   425.000  1.378
   58    59   570.000  1.229
   58    62   415.000  1.368
   62    63   650.000  1.285
   63    64   445.000  1.380
   63    66   445.000  1.380
   64    65   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   60    61   434.000  1.010
   49    50   274.000  1.336
   43    44   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    70.00000  110.64500
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    65.00000  123.03400
   39    41    45    65.00000  115.26000
   39    43    44    55.00000  108.50000
   41    39    40    45.00000  109.11000
   41    45    46    45.00000  109.11000
   41    45    47    70.00000  110.64500
   41    45    49    70.00000  113.82000
   45    41    42    65.00000  123.03400
   45    47    48    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    47    60    80.00000  111.61500
   45    49    50    44.00000   96.00000
   47    45    46    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    80.00000  111.61500
   47    60    57    50.00000  121.00000
   47    60    61    35.00000  112.50000
   51    47    48    37.50000  110.70000
   51    54    55    35.00000  112.50000
   51    54    56    50.00000  121.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    70.00000  124.03900
   54    56    64    80.00000  126.31400
   56    54    55    35.00000  114.50000
   56    57    58    70.00000  118.70000
   56    57    60    70.00000  124.03900
   56    64    63    75.00000  119.57500
   56    64    65    35.00000  114.50000
   57    58    59    80.00000  125.30000
   57    58    62    75.00000  112.93000
   57    60    61    35.00000  114.50000
   58    62    63    75.00000  109.13600
   62    58    59    80.00000  126.08800
   62    63    64    75.00000  124.36500
   62    63    66    75.00000  124.36500
   63    64    65    35.00000  119.50000
   63    66    67    35.00000  119.50000
   63    66    68    35.00000  119.50000
   64    56    57    70.00000  124.03900
   66    63    64    85.00000  116.27000
   68    66    67    35.00000  109.00000
   60    47    48    35.00000  109.50000
   60    47    51    80.00000  111.61500
   60    57    58    70.00000  117.92000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  108.60000
   43    39    40    35.00000  109.50000
   43    39    41    95.00000  109.52300
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42  -0.72750  1.0 1.0
   33    39    41    42   0.84450 -1.0 2.0
   33    39    41    45   0.60050  1.0 1.0
   33    39    41    45   0.05600 -1.0 2.0
   33    39    41    45   0.26150  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.00000  1.0 1.0
   39    41    45    47   0.60050  1.0 1.0
   39    41    45    47   0.05600 -1.0 2.0
   39    41    45    47   0.26150  1.0 3.0
   39    41    45    49   0.65300  1.0 1.0
   39    41    45    49  -0.03850 -1.0 2.0
   39    41    45    49   0.33900  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44   0.91850  1.0 1.0
   41    39    43    44   0.57950  1.0 3.0
   41    45    47    48  -0.11250  1.0 3.0
   41    45    47    51  -0.95700  1.0 1.0
   41    45    47    51  -0.18200 -1.0 2.0
   41    45    47    51   0.29450  1.0 3.0
   41    45    47    60  -2.10200  1.0 1.0
   41    45    47    60  -0.31600 -1.0 2.0
   41    45    47    60   0.13050  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47  -0.72750  1.0 1.0
   42    41    45    47   0.84450 -1.0 2.0
   42    41    45    49   0.00000  1.0 1.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    47    51    54   1.26750  1.0 1.0
   45    47    51    54  -0.00950 -1.0 2.0
   45    47    51    54   0.30600  1.0 3.0
   45    47    60    57   0.25450  1.0 1.0
   45    47    60    57  -0.61700 -1.0 2.0
   45    47    60    57  -0.23550  1.0 3.0
   45    47    60    61   0.00000  1.0 1.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    47    60   0.22950  1.0 3.0
   46    45    49    50   0.22550  1.0 3.0
   47    45    49    50  -0.37950  1.0 1.0
   47    45    49    50  -0.15600 -1.0 2.0
   47    45    49    50   0.18750  1.0 3.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.25450  1.0 1.0
   47    51    54    56  -0.61700 -1.0 2.0
   47    51    54    56  -0.23550  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.22950  1.0 3.0
   48    47    60    57   0.00000  1.0 1.0
   48    47    60    61   0.00000  1.0 1.0
   51    47    60    57   0.25450  1.0 1.0
   51    47    60    57  -0.61700 -1.0 2.0
   51    47    60    57  -0.23550  1.0 3.0
   51    47    60    61   0.00000  1.0 1.0
   51    54   -56    57  -0.54700  1.0 1.0
   51    54   -56    57   1.23000 -1.0 2.0
   51    54    56    64   1.00000 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   0.00000  1.0 1.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    60   7.00000 -1.0 2.0
   54    56    64    63   1.00000 -1.0 2.0
   54    56    64    65   1.00000 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    64   1.00000 -1.0 2.0
   56    57    58    59   1.00000 -1.0 2.0
   56    57    58    62   0.50400  1.0 1.0
   56    57    58    62   1.60000 -1.0 2.0
   56    57    58    62  -0.01800  1.0 3.0
   56    57   -60    47  -0.54700  1.0 1.0
   56    57   -60    47   1.23000 -1.0 2.0
   56    57    60    61   1.00000 -1.0 2.0
   57    56    64    63  -0.54500  1.0 1.0
   57    56    64    63   1.14150 -1.0 2.0
   57    56    64    65   1.00000 -1.0 2.0
   57    58   -62    63   1.50000 -1.0 2.0
   58    57    60    47   1.00000 -1.0 2.0
   58    57    60    61   1.00000 -1.0 2.0
   58    62    63    64   6.00000 -1.0 2.0
   58    62    63    66   6.00000 -1.0 2.0
   59    58    62    63   3.09300 -1.0 2.0
   62    63   -64    56   1.00000 -1.0 2.0
   62    63    64    65   1.50000 -1.0 2.0
   62    63    66    67   1.50000 -1.0 2.0
   62    63    66    68   1.50000 -1.0 2.0
   64    56   -57    58   7.00000 -1.0 2.0
   64    56    57    60   7.00000 -1.0 2.0
   64    63    66    67   1.00000 -1.0 2.0
   64    63    66    68   1.00000 -1.0 2.0
   66    63    64    56   1.00000 -1.0 2.0
   66    63    64    65   1.00000 -1.0 2.0
   60    47    51    52   0.22950  1.0 3.0
   60    47    51    53   0.22950  1.0 3.0
   60    47   -51    54   2.20050  1.0 1.0
   60    47   -51    54   0.63450 -1.0 2.0
   60    47   -51    54  -0.91300  1.0 3.0
   60    57    58    59  -0.52200  1.0 1.0
   60    57    58    59   0.82950 -1.0 2.0
   60    57    58    62   1.50000 -1.0 2.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    51   0.43650  1.0 1.0
   49    45    47    60   0.56750  1.0 1.0
   49    45    47    60  -0.07550 -1.0 2.0
   49    45    47    60   0.20000  1.0 3.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    45   0.55300  1.0 1.0
   43    39    41    45   1.25850 -1.0 2.0
   43    39    41    45  -0.23600  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
   37    30    36    38  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   55    56    54    51   1.00000 -1.0 2.0
   54    64    56    57   1.10000 -1.0 2.0
   58    60    57    56   1.10000 -1.0 2.0
   57    62    58    59  10.50000 -1.0 2.0
   64    66    63    62  10.50000 -1.0 2.0
   65    63    64    56   1.00000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
   61    57    60    47   1.00000 -1.0 2.0
END
