* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    103    159     304
    1     0 S   NP   _N1_     1    28.80060    95.49017   -23.84328
    2     1 S   H    _HN1     2     1.02948    77.91332     5.52247
    3     1 S   H    _H1_     3     1.02828    30.69660   167.26676
    4     1 S   H    _H2_     4     1.02790   109.24825   -99.92944
    5     1 S   CT   _CA1     5     1.50110   131.73249   112.20955
    6     5 S   HC   _HA1     6     1.09573   105.19249    85.86600
    7     5 S   CO3  _C1_     7     1.53780   112.43246   -34.37688
    8     7 S   O2Z  _O11     8     1.26371   115.01495   -43.59573
    9     7 S   O2Z  _O12     9     1.26236   114.94062   135.50035
   10     5 S   CT   _CB1    10     1.53072   107.41406  -156.16977
   11    10 S   HC   HB11    11     1.09836   109.36503   -49.70622
   12    10 S   HC   HB12    12     1.09811   110.46187    66.89540
   13    10 S   CT   _CG1    13     1.53001   112.61007  -170.66327
   14    13 S   HC   HG11    14     1.09579   110.66593   -65.90310
   15    13 S   HC   HG12    15     1.09670   109.75692    53.33365
   16    13 S   C    _CD1    16     1.51807   112.14080   173.79948
   17    16 S   O    _OE1    17     1.22742   123.23500     8.49396
   18    16 S   N    _N2_    18     1.38633   111.71623  -171.49458
   19    18 S   H    _HN2    19     1.01583   119.03436     1.46367
   20    18 S   CT1  _CA2    20     1.46272   123.47039   177.55399
   21    20 S   HC   _HA2    21     1.09730   109.24524     6.83621
   22    20 S   C    _C2_    22     1.53736   109.05526  -108.75878
   23    22 S   O    _O2_    23     1.23085   122.31709  -151.34598
   24    20 S   CT   _CB2    32     1.53290   111.39773   128.71792
   25    24 S   HC   HB21    33     1.09487   109.66436    56.67959
   26    24 S   HC   HB22    34     1.09513   110.27500   175.73961
   27    22 S   N    _N3_    24     1.38326   113.92292    36.21027
   28    27 S   H    _HN3    25     1.01542   119.58007    -3.37203
   29    24 S   S    _SG2    35     1.82916   111.62114   -64.26126
   30    27 S   CT   _CA3    26     1.45275   123.25506   177.16448
   31    30 S   HC   HA31    27     1.09547   107.52020   -64.74213
   32    30 S   HC   HA32    28     1.09558   107.98591    51.70849
   33    29 S   CT   _C12    36     1.83921    99.29159  -178.34035
   34    33 S   HC   _H3_    37     1.09095   107.39307    46.95239
   35    30 S   CO3  _C3_    29     1.52966   114.05835   173.72240
   36    35 S   O2Z  _O31    30     1.26378   116.07320     0.14402
   37    35 S   O2Z  _O32    31     1.26426   114.41045  -179.79158
   38    33 S   CM   _C13    38     1.50935   107.96017   166.06116
   39    38 S   HC   _H10    39     1.09098   115.35392    71.41793
   40    33 S   CM   _C11    46     1.51388   109.08458   -73.57140
   41    40 S   HC   _H9_    47     1.09229   115.08178   -63.51033
   42    38 S   CM   _C14    40     1.34080   128.23382  -110.63659
   43    40 S   CMA  _C10    48     1.35688   127.31195   115.99483
   44    43 S   OM   _O38    49     1.26951   123.45610  -179.40160
   45    42 S   CO3  _C15    41     1.54925   125.82388     2.89847
   46    45 S   O2Z  _O36    42     1.26191   116.55412    39.27870
   47    45 S   O2Z  _O35    43     1.26706   113.90537  -143.62121
   48    42 S   OH   _O37    44     1.38813   119.13782  -176.30997
   49    48 S   HO   _H11    45     0.97513   106.27565   172.42153
   50    43 S   OS   _O34    50     1.43131   111.20329     0.11014
   51    50 S   CA   _C7_    51     1.37476   118.56048  -173.21502
   52    51 S   CA   _C6_    52     1.39611   119.75813   -82.83255
   53    52 S   HA   _H6_    53     1.08614   120.41159     2.62734
   54    52 S   CA   _C5_    54     1.39479   119.57568  -177.61132
   55    54 S   HA   _H5_    55     1.08616   119.91714  -179.39542
   56    54 S   CA   _C4_    56     1.39659   120.09964     0.80064
   57    56 S   HA   _H4_    57     1.08639   119.85148   179.95154
   58    56 S   CA   _C9_    58     1.39634   120.25344     0.32805
   59    58 S   HA   _H7_    59     1.08595   119.46303   179.38071
   60    51 S   CA   _C8_    60     1.39515   119.79564   101.44825
   61    60 S   OH   _O33    61     1.36647   119.31436    -2.16916
   62    61 S   HO   _H8_    62     0.97176   109.09546   178.73870
  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
  11   6   2   1   1  10   4   6   3   5   5   2   4   2   1   1
   1   7  10   8   4   6   3   5   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    45    48    40    41    43    44    50  
   38    39    42    40    41    43  
   36    37  
   37  
    0  
   39    42    45    46    47    48    49    40    41    43  
   42    45    48    40  
   41    43    44    50    51    42  
   43    44    50  
   45    46    47    48    49  
   44    50    51    52    60  
   50    51  
   46    47    48    49  
   47    48  
   48  
   49  
    0  
   51    52    53    54    58    60    61  
   52    53    54    55    56    58    59    60    61    62  
   53    54    55    56    57    58    60    61  
   54    55    56    60  
   55    56    57    58    59    60  
   56    57    58  
   57    58    59    60    61  
   58    59    60  
   59    60    61    62  
   60    61  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   2.8500   0.1400  -0.570000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   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   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    45   230.000  1.545
   42    48   510.000  1.338
   45    46   656.000  1.250
   45    47   656.000  1.250
   48    49   553.000  0.945
   40    41   340.000  1.080
   40    43   465.000  1.376
   43    44   745.000  1.250
   43    50   440.000  1.360
   50    51   450.000  1.364
   51    52   469.000  1.400
   51    60   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   450.000  1.364
   61    62   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    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    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    45    55.00000  124.75400
   38    42    48    80.00000  121.38400
   42    38    39    35.00000  120.00000
   42    45    46    85.00000  113.83300
   42    45    47    85.00000  113.83300
   42    48    49    70.00000  107.45700
   47    45    46    80.00000  126.00000
   48    42    45    80.00000  119.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    65.00000  137.10300
   40    43    50    80.00000  120.01400
   43    40    41    40.00000  120.50800
   43    50    51    90.00000  114.30300
   50    43    44    65.00000  121.00000
   50    51    52    70.00000  120.00000
   50    51    60    70.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    60    58    63.00000  120.00000
   51    60    61    70.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    70.00000  120.00000
   60    51    52    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  113.00000
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  -0.62250  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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   33    38    42    45   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    50   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    43   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    42    45    46  -0.04000 -1.0 2.0
   38    42    45    46  -0.29050  1.0 3.0
   38    42    45    47  -0.04000 -1.0 2.0
   38    42    45    47  -0.29050  1.0 3.0
   38    42    48    49  -0.66100  1.0 1.0
   38    42    48    49   1.20850 -1.0 2.0
   38    42    48    49  -0.36000  1.0 3.0
   39    38    42    45   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   45    42    48    49   2.00000 -1.0 2.0
   48    42    45    46   1.68800 -1.0 2.0
   48    42    45    47   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    43    50    51   2.00000 -1.0 2.0
   41    40    43    44   7.00000 -1.0 2.0
   41    40    43    50   7.00000 -1.0 2.0
   43    50    51    52   0.00000  1.0 1.0
   43    50    51    60   0.00000  1.0 1.0
   44    43    50    51   2.00000 -1.0 2.0
   50    51    52    53   3.62500 -1.0 2.0
   50    51    52    54   3.62500 -1.0 2.0
   50    51    60    58   3.62500 -1.0 2.0
   50    51    60    61   3.62500 -1.0 2.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    56   3.62500 -1.0 2.0
   51    60    61    62   0.84100 -1.0 2.0
   52    51    60    58   3.62500 -1.0 2.0
   52    51    60    61   3.62500 -1.0 2.0
   52    54    56    57   3.62500 -1.0 2.0
   52    54   -56    58   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58   -60    51   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   0.84100 -1.0 2.0
   59    58    60    51   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    51    52    53   3.62500 -1.0 2.0
   60    51   -52    54   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    42  15.00000 -1.0 2.0
   45    48    42    38  15.00000 -1.0 2.0
   46    42    45    47  10.50000 -1.0 2.0
   33    41    40    43  15.00000 -1.0 2.0
   44    50    43    40  15.00000 -1.0 2.0
   52    60    51    50   4.00000 -1.0 2.0
   54    53    52    51   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   58    61    60    51   4.00000 -1.0 2.0
END
