* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    100    148     292
    1     0 S   NP   _N1_     1    28.78917    94.09189   -21.20692
    2     1 S   H    _HN1     2     1.02959    94.49251    28.05922
    3     1 S   H    _H1_     3     1.02839    28.06913   146.64219
    4     1 S   H    _H2_     4     1.02781    89.04192   -80.22965
    5     1 S   CT   _CA1     5     1.50110   138.56004   156.23291
    6     5 S   HC   _HA1     6     1.09571   105.26726    54.44227
    7     5 S   CO3  _C1_     7     1.53813   112.28344   -65.84807
    8     7 S   O2Z  _O11     8     1.26362   115.02111   -46.08243
    9     7 S   O2Z  _O12     9     1.26230   114.92143   133.10310
   10     5 S   CT   _CB1    10     1.53088   107.43122   172.37821
   11    10 S   HC   HB11    11     1.09820   109.43769   -50.29694
   12    10 S   HC   HB12    12     1.09825   110.39348    66.28405
   13    10 S   CT   _CG1    13     1.52995   112.62788  -171.40463
   14    13 S   HC   HG11    14     1.09546   110.39354   -60.54966
   15    13 S   HC   HG12    15     1.09634   110.11722    58.58251
   16    13 S   C    _CD1    16     1.51793   112.17387   178.78131
   17    16 S   O    _OE1    17     1.22732   123.18256   -10.41437
   18    16 S   N    _N2_    18     1.38553   111.67447   170.22624
   19    18 S   H    _HN2    19     1.01590   119.07294     0.59774
   20    18 S   CT1  _CA2    20     1.46269   123.48877  -178.25706
   21    20 S   HC   _HA2    21     1.09731   109.39274   -11.50559
   22    20 S   C    _C2_    22     1.53435   108.44588  -127.18606
   23    22 S   O    _O2_    23     1.23012   122.28728  -147.23111
   24    20 S   CT   _CB2    32     1.53356   111.11015   110.52988
   25    24 S   HC   HB21    33     1.09634   109.56927    55.49220
   26    24 S   HC   HB22    34     1.09530   110.73779   173.69335
   27    22 S   N    _N3_    24     1.38534   113.38808    40.31067
   28    27 S   H    _HN3    25     1.01520   118.85736    -0.83228
   29    24 S   S    _SG2    35     1.82725   111.46010   -66.84206
   30    27 S   CT   _CA3    26     1.45442   123.51651   175.07622
   31    30 S   HC   HA31    27     1.09518   109.31636    22.92582
   32    30 S   HC   HA32    28     1.09497   107.10345   139.93556
   33    29 S   CM   _C6_    36     1.75795    99.75020   151.98515
   34    30 S   CO3  _C3_    29     1.52914   113.06157  -100.61069
   35    34 S   O2Z  _O31    30     1.26408   115.38711   -45.04761
   36    34 S   O2Z  _O32    31     1.26353   115.00197   135.90326
   37    33 S   CM   _C5_    37     1.35534   121.01476   -81.53383
   38    37 S   CM   _C10    38     1.46116   120.68880   178.71427
   39    38 S   Br   Br1_    39     1.87526   119.73580  -159.44313
   40    37 S   OS   _O33    53     1.38605   122.67901     3.64830
   41    38 S   CM   _C9_    40     1.34484   120.03802    21.09787
   42    41 S   HC   _H7_    41     1.08691   120.15916   177.15029
   43    40 S   CT   _C4_    54     1.42892   111.11643   -96.82282
   44    43 S   HC   _H4_    55     1.09352   107.80842  -176.84936
   45    43 S   HC   _H5_    56     1.09479   111.05488    64.85040
   46    43 S   HC   _H6_    57     1.09499   111.68967   -58.33456
   47    41 S   CT   _C8_    42     1.51818   121.99868    -2.63106
   48    33 S   CT   _C7_    43     1.54021   117.24106   102.58669
   49    48 S   OM   _O35    44     1.32762   106.29559   -88.84827
   50    48 S   HC   _H3_    45     1.10146   105.38553    38.71493
   51    47 S   CT   _C11    46     1.55309   109.71962  -156.46367
   52    51 S   HC   _H8_    47     1.09707   110.94282    57.37846
   53    51 S   HC   _H9_    48     1.09869   109.33831   -59.68705
   54    47 S   OH   _O34    51     1.44473   104.37202    89.96641
   55    54 S   HO   _H10    52     0.97215   108.10688  -170.22121
   56    51 S   CZ   _C12    49     1.47327   113.09543  -179.28427
   57    56 S   NZ   _N4_    50     1.16057   179.17671   111.19627
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1  13   9   4   6  11   4   3   2   1   1  10   8
   3   2   6   4   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    48    49    50    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    47    48    49    50    51    54    40    43  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    50    40    43    44    45    46  
   39    41    42    47    48    51    54    40    43  
   41    42    47    40  
   43    44    45    46    41    48  
   42    47    48    49    50    51    52    53    56    54    55  
   47    48    51    54  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    52    53    56    57    54    55  
   49    50    51    52    53    56    54    55  
   50    51    54  
   51    54  
   52    53    56    57    54    55  
   53    56    57    54  
   56    57    54  
   55    56  
    0  
   57  
    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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.3000   0.0660  -0.020000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   57   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    48   317.000  1.510
   37    38   380.000  1.444
   37    40   440.000  1.360
   38    39   165.000  1.979
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   268.000  1.529
   47    51   268.000  1.529
   47    54   320.000  1.410
   48    49   570.000  1.307
   48    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   390.000  1.470
   56    57   650.000  1.157
   54    55   553.000  0.945
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    48    65.00000  117.37300
   33    37    38    70.00000  123.01800
   33    37    40    80.00000  120.01400
   33    48    47    70.00000  112.02700
   33    48    49    85.00000  110.90400
   33    48    50    35.00000  109.50000
   37    38    39    65.00000  115.01300
   37    38    41    70.00000  123.01800
   37    40    43    90.00000  111.18400
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    65.00000  115.01300
   41    47    48    70.00000  112.02700
   41    47    51    70.00000  112.02700
   41    47    54    90.00000  110.39200
   47    41    42    35.00000  117.00000
   47    48    49    50.00000  109.50000
   47    48    50    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    56    58.35000  112.70000
   47    54    55    55.00000  108.50000
   48    33    37    70.00000  124.00000
   50    48    49    45.00000  125.66300
   51    47    48    58.35000  112.70000
   51    56    57   150.00000  180.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  108.50000
   56    51    53    35.00000  108.50000
   54    47    48    50.00000  109.50000
   54    47    51    50.00000  109.50000
   40    37    38    80.00000  120.01400
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    48   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    48    47   0.09700  1.0 1.0
   29    33    48    47   0.15600 -1.0 2.0
   29    33    48    47  -0.50800  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   29    33    48    50   0.00000  1.0 1.0
   33    37    38    39  -0.18600  1.0 3.0
   33    37    38    41   0.28850  1.0 1.0
   33    37    38    41   2.61350 -1.0 2.0
   33    37    38    41   0.78400  1.0 3.0
   33    37    40    43  -2.26850  1.0 1.0
   33    37    40    43   3.39050 -1.0 2.0
   37    33    48    47   0.09850  1.0 1.0
   37    33    48    47   0.15250 -1.0 2.0
   37    33    48    47  -0.50650  1.0 3.0
   37    33    48    49   0.39000  1.0 1.0
   37    33    48    49  -0.05800 -1.0 2.0
   37    33    48    49  -0.55150  1.0 3.0
   37    33    48    50   0.00000  1.0 1.0
   37    38    41    42   7.00000 -1.0 2.0
   37    38   -41    47   7.00000 -1.0 2.0
   37    40    43    44   0.08050  1.0 3.0
   37    40    43    45   0.08050  1.0 3.0
   37    40    43    46   0.08050  1.0 3.0
   38    37    40    43  -2.26850  1.0 1.0
   38    37    40    43   3.39050 -1.0 2.0
   38    41    47    48   0.09850  1.0 1.0
   38    41    47    48   0.15250 -1.0 2.0
   38    41    47    48  -0.50650  1.0 3.0
   38    41    47    51   0.09850  1.0 1.0
   38    41    47    51   0.15250 -1.0 2.0
   38    41    47    51  -0.50650  1.0 3.0
   38    41    47    54   0.67800  1.0 1.0
   38    41    47    54   0.47050 -1.0 2.0
   38    41    47    54  -0.62500  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47   -48    33   0.31000  1.0 1.0
   41    47   -48    33   0.14700 -1.0 2.0
   41    47   -48    33   0.07550  1.0 3.0
   41    47    48    49   0.61850  1.0 1.0
   41    47    48    49  -0.22750 -1.0 2.0
   41    47    48    49   0.15300  1.0 3.0
   41    47    48    50   0.15000  1.0 3.0
   41    47    51    52   0.15000  1.0 3.0
   41    47    51    53   0.15000  1.0 3.0
   41    47    51    56   0.56750  1.0 1.0
   41    47    51    56  -0.07550 -1.0 2.0
   41    47    51    56   0.20000  1.0 3.0
   41    47    54    55  -0.07800  1.0 1.0
   41    47    54    55  -0.21500 -1.0 2.0
   41    47    54    55  -0.03150  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   42    41    47    54   0.00000  1.0 1.0
   47    51    56    57   0.00000  1.0 1.0
   48    33   -37    38   7.00000 -1.0 2.0
   48    33    37    40   7.00000 -1.0 2.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    56  -0.74000  1.0 1.0
   48    47    51    56   0.24050 -1.0 2.0
   48    47    51    56   0.24650  1.0 3.0
   48    47    54    55  -0.11600  1.0 1.0
   48    47    54    55  -0.09450 -1.0 2.0
   48    47    54    55   0.21250  1.0 3.0
   51    47    48    33   0.34400  1.0 1.0
   51    47    48    33   0.09450 -1.0 2.0
   51    47    48    33   0.11100  1.0 3.0
   51    47    48    49   0.62750  1.0 1.0
   51    47    48    49  -0.30950 -1.0 2.0
   51    47    48    49   0.27300  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    54    55  -0.11600  1.0 1.0
   51    47    54    55  -0.09450 -1.0 2.0
   51    47    54    55   0.21250  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   54    47    48    33   1.05650  1.0 1.0
   54    47    48    33   0.15600 -1.0 2.0
   54    47    48    33   0.53150  1.0 3.0
   54    47    48    49   3.69350  1.0 1.0
   54    47    48    49  -1.82950 -1.0 2.0
   54    47    48    50   0.23400  1.0 3.0
   54    47    51    52   0.23400  1.0 3.0
   54    47    51    53   0.23400  1.0 3.0
   54    47    51    56   0.56750  1.0 1.0
   54    47    51    56  -0.07550 -1.0 2.0
   54    47    51    56   0.20000  1.0 3.0
   40    37    38    39   1.08500 -1.0 2.0
   40    37    38    41  -0.51250  1.0 1.0
   40    37    38    41   1.23350 -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
   35    30    34    36  10.50000 -1.0 2.0
   29    48    33    37   1.10000 -1.0 2.0
   38    40    37    33   1.10000 -1.0 2.0
   37    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
END
