* LIGAND DATABASE FILE (OPLS2005)
*
001      60    61    110    166     320
    1     0 S   NP   _N1_     1    27.98522    96.72538   -23.24456
    2     1 S   H    _HN1     2     1.02777   106.79972  -109.17277
    3     1 S   H    _H1_     3     1.02957    75.82174    -3.94893
    4     1 S   H    _H2_     4     1.02836    33.69845   153.61724
    5     1 S   CT   _CA1     5     1.50143   135.23029   100.86657
    6     5 S   HC   _HA1     6     1.09576   105.19628    87.39936
    7     5 S   CO3  _C1_     7     1.53766   112.30409   -32.75549
    8     7 S   O2Z  _O11     8     1.26367   114.99128   -44.85590
    9     7 S   O2Z  _O12     9     1.26227   114.91738   134.09906
   10     5 S   CT   _CB1    10     1.53080   107.40532  -154.73509
   11    10 S   HC   HB11    11     1.09831   109.28021   -50.45140
   12    10 S   HC   HB12    12     1.09814   110.45480    66.07772
   13    10 S   CT   _CG1    13     1.53044   112.71577  -171.50396
   14    13 S   HC   HG11    14     1.09590   110.53978   -65.40346
   15    13 S   HC   HG12    15     1.09658   109.88390    53.82502
   16    13 S   C    _CD1    16     1.51855   112.19891   174.15997
   17    16 S   O    _OE1    17     1.22774   123.23927     2.93011
   18    16 S   N    _N2_    18     1.38572   111.83177  -177.06582
   19    18 S   H    _HN2    19     1.01569   119.10491     3.77512
   20    18 S   CT1  _CA2    20     1.45806   122.73105   177.35706
   21    20 S   HC   _HA2    21     1.09745   108.82699    25.64529
   22    20 S   C    _C2_    22     1.52961   107.11534   -91.25338
   23    22 S   O    _O2_    23     1.22971   123.10522   -26.43040
   24    20 S   CT   _CB2    32     1.53145   112.40409   148.76111
   25    24 S   HC   HB21    33     1.09594   110.46085    53.88353
   26    24 S   HC   HB22    34     1.09466   109.87245   172.81703
   27    22 S   N    _N3_    24     1.38516   112.51335   156.18772
   28    27 S   H    _HN3    25     1.01657   120.33025    -1.83622
   29    24 S   S    _SG2    35     1.82523   111.11527   -66.81727
   30    27 S   CT   _CA3    26     1.45349   122.52119   178.68003
   31    30 S   HC   HA31    27     1.09565   107.81199   -56.07161
   32    30 S   HC   HA32    28     1.09562   107.61454    60.27204
   33    29 S   CT   _C11    36     1.84080    99.33258  -178.03228
   34    33 S   HC   _H3_    37     1.09574   104.75117   -51.29321
   35    30 S   CO3  _C3_    29     1.52896   114.29586  -177.93067
   36    35 S   O2Z  _O31    30     1.26341   116.04716     1.16634
   37    35 S   O2Z  _O32    31     1.26435   114.41872  -178.88513
   38    33 S   CM   _C5_    38     1.53165   109.39997  -168.45875
   39    38 S   CM   _C4_    39     1.47862   114.72808   -89.87062
   40    39 S   CM   _C6_    40     1.35157   120.84262   -12.62953
   41    39 S   CT   _C9_    52     1.50491   113.60506   169.43122
   42    41 S   HC   _H17    53     1.09213   113.49126   159.34592
   43    41 S   HC   _H18    54     1.09685   108.97480   -79.85656
   44    40 S   CT   _C12    41     1.51537   123.33789    -2.95949
   45    44 S   HC   _H22    42     1.09872   107.47254  -124.28776
   46    40 S   CO4  _C8_    49     1.49326   120.78006   179.44609
   47    46 S   O    _O13    50     1.22613   123.18582   163.79154
   48    46 S   HC   _H16    51     1.09929   116.64958   -16.66904
   49    41 S   CT   _C10    55     1.51159   107.71876    40.06405
   50    49 S   HC   _H19    56     1.09772   112.53762    60.01411
   51    49 S   HC   _H20    57     1.09515   109.91247   179.55238
   52    33 S   NT   _N11    43     1.47009   114.39432    63.00333
   53    52 S   H    _H26    44     1.02084   107.54246  -164.00477
   54    44 S   CT   _C13    45     1.53558   112.82541   119.13349
   55    54 S   HC   _H23    46     1.09363   112.69865   -49.32659
   56    54 S   HC   _H24    47     1.09621   111.16298  -171.19404
   57    54 S   HC   _H25    48     1.09545   110.91738    70.52414
   58    49 S   OS   _O14    58     1.42174   109.78147   -62.47231
   59    38 S   CMA  _C7_    59     1.37490   121.78838    89.84567
   60    59 S   OM   _O33    60     1.26856   124.60855    -1.22141
  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   8   5   4   3
  13   6   2   1   1  13  17  16   9   5   4  10   7   4   1   1
   5   3   2   6   1   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    52    53    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    52    53    54    41    58    59    60  
   38    39    44    52    53    59  
   36    37  
   37  
    0  
   39    40    44    52    53    46    41    42    43    49    58    59    60  
   40    44    45    52    54    46    47    48    41    42    43    49    50    51    58    59    60  
   44    45    52    53    54    55    56    57    46    47    48    41    42    43    49    59  
   42    43    49    50    51    58    59    44    46  
   43    49    50    51    58  
   49    50    51    58  
   45    52    53    54    55    56    57    46    47    48  
   52    53    54    55    56    57    46  
   47    48    52    54  
   48  
    0  
   50    51    58    59    60  
   51    58    59  
   58    59  
   53    54    55    56    57    59  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    60  
   60  
    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   0.307500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
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    52   382.000  1.448
   38    39   380.000  1.444
   38    59   465.000  1.376
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    44   317.000  1.510
   40    46   320.000  1.462
   44    45   340.000  1.090
   44    52   382.000  1.448
   44    54   268.000  1.529
   52    53   434.000  1.010
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   320.000  1.410
   58    59   440.000  1.360
   59    60   745.000  1.250
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    52    85.00000  109.00000
   33    38    39    70.00000  124.00000
   33    38    59    70.00000  124.00000
   33    52    44    51.80000  107.20000
   33    52    53    35.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    59    58    80.00000  120.01400
   38    59    60    65.00000  137.10300
   39    40    44    70.00000  124.00000
   39    40    46    65.00000  118.96000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    49    70.00000  112.02700
   40    44    45    35.00000  109.50000
   40    44    52    75.00000  110.70900
   40    44    54    70.00000  112.02700
   40    46    47    80.00000  123.72100
   40    46    48    40.00000  115.75000
   44    52    53    35.00000  109.50000
   44    54    55    37.50000  110.70000
   44    54    56    37.50000  110.70000
   44    54    57    37.50000  110.70000
   52    33    34    35.00000  109.50000
   52    33    38    75.00000  110.70900
   52    44    45    35.00000  109.50000
   54    44    45    37.50000  110.70000
   54    44    52    56.20000  109.47000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    40    44    65.00000  116.34900
   48    46    47    35.00000  123.00000
   41    39    40    70.00000  124.00000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    58    50.00000  109.50000
   43    41    42    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    43    37.50000  110.70000
   49    58    59    90.00000  111.18400
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    59    60    65.00000  121.00000
   59    38    39    70.00000  117.34000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    59   0.42700  1.0 1.0
   29    33    38    59  -0.70350 -1.0 2.0
   29    33    38    59  -0.43150  1.0 3.0
   29    33    52    44   0.23200  1.0 1.0
   29    33    52    44   0.02100 -1.0 2.0
   29    33    52    44   0.24950  1.0 3.0
   29    33    52    53  -0.05900  1.0 1.0
   29    33    52    53   0.08350 -1.0 2.0
   29    33    52    53   0.12500  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38    39    41   0.35650  1.0 1.0
   33    38    39    41   0.31450 -1.0 2.0
   33    38    59    58   7.00000 -1.0 2.0
   33    38    59    60   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    52    44   0.28000  1.0 3.0
   34    33    52    53   0.20000  1.0 3.0
   38    33    52    44  -0.60800  1.0 1.0
   38    33    52    44   1.10050 -1.0 2.0
   38    33    52    44   0.47000  1.0 3.0
   38    33    52    53   0.12450  1.0 1.0
   38    33    52    53  -0.40750 -1.0 2.0
   38    33    52    53   0.30300  1.0 3.0
   38    39   -40    44   7.00000 -1.0 2.0
   38    39    40    46   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39    41    43   0.00000  1.0 1.0
   38    39    41    49   0.98200  1.0 1.0
   38    39    41    49  -0.11900 -1.0 2.0
   38    39    41    49   0.24250  1.0 3.0
   39    38    59    58   7.00000 -1.0 2.0
   39    38    59    60   7.00000 -1.0 2.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    52   0.90200  1.0 1.0
   39    40    44    52   0.57900 -1.0 2.0
   39    40    44    52  -0.62100  1.0 3.0
   39    40    44    54   0.09850  1.0 1.0
   39    40    44    54   0.15250 -1.0 2.0
   39    40    44    54  -0.50650  1.0 3.0
   39    40    46    47   1.00000 -1.0 2.0
   39    40    46    48  -0.79650  1.0 1.0
   39    40    46    48   1.60950 -1.0 2.0
   39    40    46    48  -0.26250  1.0 3.0
   39    41    49    50   0.15000  1.0 3.0
   39    41    49    51   0.15000  1.0 3.0
   39    41   -49    58   0.61850  1.0 1.0
   39    41   -49    58  -0.22750 -1.0 2.0
   39    41   -49    58   0.15300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    49   0.09850  1.0 1.0
   40    39    41    49   0.15250 -1.0 2.0
   40    39    41    49  -0.50650  1.0 3.0
   40    44   -52    33  -0.60800  1.0 1.0
   40    44   -52    33   1.10050 -1.0 2.0
   40    44   -52    33   0.47000  1.0 3.0
   40    44    52    53   0.12450  1.0 1.0
   40    44    52    53  -0.40750 -1.0 2.0
   40    44    52    53   0.30300  1.0 3.0
   40    44    54    55   0.15000  1.0 3.0
   40    44    54    56   0.15000  1.0 3.0
   40    44    54    57   0.15000  1.0 3.0
   44    40    46    47  -0.64400  1.0 1.0
   44    40    46    47   0.26850 -1.0 2.0
   44    40    46    48  -0.07900  1.0 1.0
   44    40    46    48   0.77700 -1.0 2.0
   44    40    46    48   0.13200  1.0 3.0
   45    44    52    33   0.28000  1.0 3.0
   45    44    52    53   0.20000  1.0 3.0
   45    44    54    55   0.15000  1.0 3.0
   45    44    54    56   0.15000  1.0 3.0
   45    44    54    57   0.15000  1.0 3.0
   52    33   -38    39   0.90200  1.0 1.0
   52    33   -38    39   0.57900 -1.0 2.0
   52    33   -38    39  -0.62100  1.0 3.0
   52    33    38    59   0.90200  1.0 1.0
   52    33    38    59   0.57900 -1.0 2.0
   52    33    38    59  -0.62100  1.0 3.0
   52    44    54    55   0.15000  1.0 3.0
   52    44    54    56   0.15000  1.0 3.0
   52    44    54    57   0.15000  1.0 3.0
   54    44    52    33   0.23450  1.0 1.0
   54    44    52    33   0.02050 -1.0 2.0
   54    44    52    33   0.25250  1.0 3.0
   54    44    52    53  -0.05950  1.0 1.0
   54    44    52    53   0.08850 -1.0 2.0
   54    44    52    53   0.11750  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    52   0.09700  1.0 1.0
   46    40    44    52   0.15600 -1.0 2.0
   46    40    44    52  -0.50800  1.0 3.0
   46    40    44    54   0.09700  1.0 1.0
   46    40    44    54   0.15600 -1.0 2.0
   46    40    44    54  -0.50800  1.0 3.0
   41    39    40    44   7.00000 -1.0 2.0
   41    39    40    46   7.00000 -1.0 2.0
   41    49    58    59  -0.46850  1.0 1.0
   41    49    58    59   0.09300 -1.0 2.0
   41    49    58    59  -0.12850  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    58   0.23400  1.0 3.0
   43    41    49    50   0.15000  1.0 3.0
   43    41    49    51   0.15000  1.0 3.0
   43    41    49    58   0.23400  1.0 3.0
   49    58   -59    38  -2.26850  1.0 1.0
   49    58   -59    38   3.39050 -1.0 2.0
   49    58    59    60   2.00000 -1.0 2.0
   50    49    58    59   0.08050  1.0 3.0
   51    49    58    59   0.08050  1.0 3.0
   59    38    39    40   0.28850  1.0 1.0
   59    38    39    40   2.61350 -1.0 2.0
   59    38    39    40   0.78400  1.0 3.0
   59    38   -39    41  -0.18600  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    59   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   46    44    40    39   1.10000 -1.0 2.0
   40    48    46    47  10.50000 -1.0 2.0
   58    60    59    38   1.10000 -1.0 2.0
END
