* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    107    171     316
    1     0 S   NP   _N1_     1    29.05134    95.48363   -20.65502
    2     1 S   H    _HN1     2     1.02962    89.14227    51.83405
    3     1 S   H    _H1_     3     1.02810    35.68042   173.19894
    4     1 S   H    _H2_     4     1.02754    85.50861   -56.73513
    5     1 S   CT   _CA1     5     1.50284   146.27546   178.55572
    6     5 S   HC   _HA1     6     1.09599   104.97362    55.75243
    7     5 S   CO3  _C1_     7     1.53799   112.56409   -63.55344
    8     7 S   O2Z  _O11     8     1.26355   114.92926   -33.23718
    9     7 S   O2Z  _O12     9     1.26280   114.92279   145.09085
   10     5 S   CT   _CB1    10     1.53070   107.19304   173.18174
   11    10 S   HC   HB11    11     1.09793   108.70986   -51.43809
   12    10 S   HC   HB12    12     1.09801   110.46962    64.80240
   13    10 S   CT   _CG1    13     1.52978   113.02405  -172.93525
   14    13 S   HC   HG11    14     1.09574   110.09973   -71.59250
   15    13 S   HC   HG12    15     1.09672   110.14953    47.30091
   16    13 S   C    _CD1    16     1.51982   112.55843   166.72227
   17    16 S   O    _OE1    17     1.22758   123.25626   -14.01951
   18    16 S   N    _N2_    18     1.38581   111.74690   168.27086
   19    18 S   H    _HN2    19     1.01580   118.82266    -2.91040
   20    18 S   CT1  _CA2    20     1.46226   123.56946   177.23480
   21    20 S   HC   _HA2    21     1.09731   109.43024   -13.47367
   22    20 S   C    _C2_    22     1.53492   108.00803  -128.92391
   23    22 S   O    _O2_    23     1.23020   122.31402  -146.01154
   24    20 S   CT   _CB2    32     1.53345   111.46177   109.04360
   25    24 S   HC   HB21    33     1.09415   109.25418    52.48678
   26    24 S   HC   HB22    34     1.09496   110.59517   170.79640
   27    22 S   N    _N3_    24     1.38536   113.35804    41.40442
   28    27 S   H    _HN3    25     1.01534   118.85483    -0.85157
   29    24 S   S    _SG2    35     1.83090   111.56433   -70.26174
   30    27 S   CT   _CA3    26     1.45429   123.48230   175.14715
   31    30 S   HC   HA31    27     1.09523   109.24832    24.33954
   32    30 S   HC   HA32    28     1.09496   107.12932   141.33252
   33    29 S   CT   _C16    36     1.88377   100.87562   150.90132
   34    33 S   Cl   Cl1_    37     1.82107   108.83140   177.15256
   35    30 S   CO3  _C3_    29     1.52911   113.06617   -99.14850
   36    35 S   O2Z  _O31    30     1.26404   115.38706   -45.62287
   37    35 S   O2Z  _O32    31     1.26350   114.99622   135.29794
   38    33 S   CM   _C11    38     1.56536   110.25099   -65.08505
   39    38 S   CM   _C12    39     1.48562   114.46287   129.23652
   40    38 S   CMA  _C10    48     1.37957   122.62221   -51.01375
   41    40 S   OM   _O33    49     1.26387   129.06252    -5.43628
   42    39 S   CM   _C13    40     1.34656   124.00582    -8.45034
   43    42 S   Cl   Cl4_    41     1.74830   118.71741   179.46368
   44    39 S   OH   _O34    46     1.39021   117.18305   166.44743
   45    44 S   HO   _H9_    47     0.97384   107.85923   -24.75941
   46    40 S   NE   _N4_    50     1.40066   120.52579   167.98443
   47    46 S   H    _H8_    51     1.01646   113.87909   -30.53574
   48    42 S   CM   _C14    42     1.45173   122.30849     3.19200
   49    48 S   Cl   Cl3_    43     1.74367   118.78674  -178.48975
   50    46 S   CA   _C7_    52     1.41603   132.43855   145.63806
   51    33 S   CM   _C15    44     1.53233   107.49912    61.66555
   52    51 S   Cl   Cl2_    45     1.75675   116.35537    55.75881
   53    50 S   CA   _C6_    53     1.40572   118.30392   161.78433
   54    53 S   HA   _H5_    54     1.08773   120.16378     0.41307
   55    53 S   CA   _C5_    55     1.39682   121.15272  -178.91827
   56    55 S   HA   _H4_    56     1.08600   119.92162   179.53354
   57    55 S   CA   _C4_    57     1.39140   120.00232     0.17694
   58    57 S   HA   _H3_    58     1.08572   120.13352   179.61437
   59    57 S   CA   _C9_    59     1.39210   119.74053     0.05595
   60    59 S   HA   _H7_    60     1.08615   119.98286   179.80820
   61    50 S   CA   _C8_    61     1.40250   123.72928   -16.55871
   62    61 S   HA   _H6_    62     1.08662   120.95316    -2.30469
  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
  12   6   2   1   1  13  10   9   3   7   4   2   1   8   3   3
   2   9   1   1   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    51    52    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    49    51    52    44    40    41    46  
   38    39    48    51    52    40  
   36    37  
   37  
    0  
   39    42    43    48    51    52    44    45    40    41    46    47    50  
   42    43    48    49    51    44    45    40    41    46  
   41    46    47    50    53    61    42    44    51  
   46    47    50  
   43    48    49    51    52    44    45  
   48    49    51    44  
   45    48  
    0  
   47    50    53    54    55    59    61    62  
   50    53    61  
   49    51    52  
   51    52  
   53    54    55    56    57    59    60    61    62  
   52  
    0  
   54    55    56    57    58    59    61    62  
   55    56    57    61  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62  
   59    60    61  
   60    61    62  
   61    62  
   62  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   245.000  1.781
   33    38   317.000  1.510
   33    51   317.000  1.510
   38    39   380.000  1.444
   38    40   465.000  1.376
   39    42   549.000  1.340
   39    44   510.000  1.338
   42    43   300.000  1.725
   42    48   380.000  1.444
   48    49   300.000  1.725
   48    51   549.000  1.340
   51    52   300.000  1.725
   44    45   553.000  0.945
   40    41   745.000  1.250
   40    46   415.000  1.382
   46    47   434.000  1.010
   46    50   481.000  1.340
   50    53   469.000  1.400
   50    61   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    51    48    70.00000  124.00000
   33    51    52    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    70.00000  123.01800
   38    39    44    80.00000  121.38400
   38    40    41    65.00000  137.10300
   38    40    46    75.00000  114.40000
   39    42    43    75.00000  121.50000
   39    42    48    70.00000  123.01800
   39    44    45    70.00000  107.45700
   42    48    49    75.00000  121.50000
   42    48    51    70.00000  123.01800
   48    42    43    75.00000  121.50000
   48    51    52    75.00000  121.50000
   51    33    34    75.00000  111.90500
   51    33    38    70.00000  110.12100
   51    48    49    75.00000  121.50000
   44    39    42    80.00000  121.38400
   40    38    39    70.00000  117.34000
   40    46    47    50.00000  121.48000
   40    46    50    75.00000  121.78000
   46    40    41   105.00000  113.92000
   46    50    53    70.00000  120.10000
   46    50    61    70.00000  120.10000
   50    46    47    35.00000  113.50000
   50    53    54    35.00000  120.00000
   50    53    55    63.00000  120.00000
   50    61    59    63.00000  120.00000
   50    61    62    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   61    50    53    63.00000  120.00000
   61    59    60    35.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    48   0.42700  1.0 1.0
   29    33    51    48  -0.70350 -1.0 2.0
   29    33    51    48  -0.43150  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    39    44   1.08500 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    46   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    51    48   0.09700  1.0 1.0
   34    33    51    48   0.15600 -1.0 2.0
   34    33    51    48  -0.50800  1.0 3.0
   34    33    51    52   0.09700  1.0 1.0
   34    33    51    52   0.15600 -1.0 2.0
   34    33    51    52  -0.50800  1.0 3.0
   38    33    51    48  -0.28300  1.0 1.0
   38    33    51    48   0.26700 -1.0 2.0
   38    33    51    48  -0.63300  1.0 3.0
   38    33    51    52   0.09700  1.0 1.0
   38    33    51    52   0.15600 -1.0 2.0
   38    33    51    52  -0.50800  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   1.00000 -1.0 2.0
   38    40    46    50  -0.54500  1.0 1.0
   38    40    46    50   1.14150 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    46   7.00000 -1.0 2.0
   39    42    48    49  -0.18600  1.0 3.0
   39    42    48    51   0.28850  1.0 1.0
   39    42    48    51   2.61350 -1.0 2.0
   39    42    48    51   0.78400  1.0 3.0
   42    39    44    45  -0.66100  1.0 1.0
   42    39    44    45   1.20850 -1.0 2.0
   42    39    44    45  -0.36000  1.0 3.0
   42    48   -51    33   7.00000 -1.0 2.0
   42    48    51    52   7.00000 -1.0 2.0
   43    42    48    49   1.08500 -1.0 2.0
   43    42    48    51  -0.18600  1.0 3.0
   49    48    51    33   7.00000 -1.0 2.0
   49    48    51    52   7.00000 -1.0 2.0
   51    33   -38    39  -0.28300  1.0 1.0
   51    33   -38    39   0.26700 -1.0 2.0
   51    33   -38    39  -0.63300  1.0 3.0
   51    33    38    40  -0.28300  1.0 1.0
   51    33    38    40   0.26700 -1.0 2.0
   51    33    38    40  -0.63300  1.0 3.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    48   7.00000 -1.0 2.0
   40    38    39    42   0.28850  1.0 1.0
   40    38    39    42   2.61350 -1.0 2.0
   40    38    39    42   0.78400  1.0 3.0
   40    38    39    44   0.50950  1.0 1.0
   40    38    39    44   0.56650 -1.0 2.0
   40    38    39    44   0.34050  1.0 3.0
   40    46    50    53   0.70250  1.0 1.0
   40    46    50    53   1.56150 -1.0 2.0
   40    46    50    61   0.70250  1.0 1.0
   40    46    50    61   1.56150 -1.0 2.0
   41    40    46    47   1.00000 -1.0 2.0
   41    40    46    50   1.00000 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50    53    55   3.62500 -1.0 2.0
   46    50    61    59   3.62500 -1.0 2.0
   46    50    61    62   3.62500 -1.0 2.0
   47    46    50    53   1.00000 -1.0 2.0
   47    46    50    61   1.00000 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    57   3.62500 -1.0 2.0
   53    50    61    59   3.62500 -1.0 2.0
   53    50    61    62   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55   -57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59   -61    50   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   60    59    61    50   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    50    53    54   3.62500 -1.0 2.0
   61    50   -53    55   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   38    44    39    42   1.10000 -1.0 2.0
   48    43    42    39   1.10000 -1.0 2.0
   42    49    48    51   1.10000 -1.0 2.0
   33    52    51    48   1.10000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   47    40    46    50   1.00000 -1.0 2.0
   53    61    50    46   4.00000 -1.0 2.0
   55    54    53    50   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   59    62    61    50   1.10000 -1.0 2.0
END
