* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56    101    157     303
    1     0 S   NP   _N1_     1    28.04867    96.01830   -22.70804
    2     1 S   H    _HN1     2     1.02776   101.25130  -118.99530
    3     1 S   H    _H1_     3     1.02956    81.18914   -11.90321
    4     1 S   H    _H2_     4     1.02834    30.90946   134.87818
    5     1 S   CT   _CA1     5     1.50144   137.61836    98.75876
    6     5 S   HC   _HA1     6     1.09573   105.20491    78.08609
    7     5 S   CO3  _C1_     7     1.53786   112.34605   -42.10220
    8     7 S   O2Z  _O11     8     1.26372   114.98870   -43.60647
    9     7 S   O2Z  _O12     9     1.26231   114.93682   135.42394
   10     5 S   CT   _CB1    10     1.53088   107.41249  -163.98734
   11    10 S   HC   HB11    11     1.09829   109.34133   -50.10666
   12    10 S   HC   HB12    12     1.09815   110.42369    66.45139
   13    10 S   CT   _CG1    13     1.53025   112.68516  -171.15098
   14    13 S   HC   HG11    14     1.09591   110.52626   -64.65367
   15    13 S   HC   HG12    15     1.09657   109.89694    54.56228
   16    13 S   C    _CD1    16     1.51844   112.26284   174.94902
   17    16 S   O    _OE1    17     1.22760   123.28036     2.03009
   18    16 S   N    _N2_    18     1.38541   111.75782  -178.02088
   19    18 S   H    _HN2    19     1.01580   119.12769     3.82684
   20    18 S   CT1  _CA2    20     1.45854   122.84339   178.22524
   21    20 S   HC   _HA2    21     1.09723   108.86170    26.22948
   22    20 S   C    _C2_    22     1.52913   106.97457   -90.97650
   23    22 S   O    _O2_    23     1.22990   123.01583   -27.98066
   24    20 S   CT   _CB2    32     1.53125   112.14977   149.38817
   25    24 S   HC   HB21    33     1.09541   110.05863    55.86057
   26    24 S   HC   HB22    34     1.09538   110.35328   174.58579
   27    22 S   N    _N3_    24     1.38492   112.63253   154.74515
   28    27 S   H    _HN3    25     1.01663   120.38308    -1.92813
   29    24 S   S    _SG2    35     1.82613   111.18552   -65.51127
   30    27 S   CT   _CA3    26     1.45360   122.39844   178.70095
   31    30 S   HC   HA31    27     1.09569   107.70648   -57.81858
   32    30 S   HC   HA32    28     1.09566   107.68809    58.48179
   33    29 S   CT   _C6_    36     1.83578    99.20768   172.37720
   34    33 S   HC   _H4_    37     1.09576   108.30128    36.18979
   35    30 S   CO3  _C3_    29     1.52873   114.40334  -179.68847
   36    35 S   O2Z  _O31    30     1.26323   116.08365    -0.74336
   37    35 S   O2Z  _O32    31     1.26446   114.39842   179.25401
   38    33 S   CO4  _C7_    38     1.52955   110.29575   -81.35498
   39    38 S   O    _O33    39     1.23180   123.98564    11.64414
   40    38 S   CT   _C8_    40     1.52113   116.12415  -172.82862
   41    40 S   HC   _H5_    41     1.09635   109.52118   173.18920
   42    40 S   CT   _C9_    42     1.53132   111.41106    50.57699
   43    42 S   HC   _H6_    43     1.09723   108.99026  -168.79612
   44    40 S   OH   _O34    55     1.42106   107.65167   -69.78264
   45    44 S   HO   _H11    56     0.97302   107.46218   -65.98456
   46    42 S   CT   _C4_    44     1.53659   111.41257   -50.24392
   47    46 S   HC   _H7_    45     1.09896   108.76192   -67.31141
   48    46 S   HC   _H8_    46     1.09870   109.60093   177.65799
   49    42 S   NTH2 _N4_    52     1.46516   110.23358    72.71203
   50    49 S   H    _H9_    53     1.01947   109.64879   179.39932
   51    49 S   H    _H10    54     1.01924   109.79651    62.83627
   52    33 S   CT   _C5_    47     1.53374   109.64086   157.25598
   53    52 S   HC   _H3_    48     1.09909   109.86405    54.14293
   54    52 S   CO3  _C10    49     1.54227   114.35231   -68.31024
   55    54 S   O2Z  _O36    50     1.26277   116.15407   -34.06015
   56    54 S   O2Z  _O35    51     1.26491   114.49412   146.52319
  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   9   5   4   3
  15   7   2   1   1  12   5  12   6  12   8   3   1  10   5   4
   3   1   1   4   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    52    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    47    48    52    53    54    55    56    44  
   38    39    40    46    52    53    54  
   36    37  
   37  
    0  
   39    40    41    42    43    46    52    53    54    49    44    45  
   40    41    42    52    44  
   41    42    43    46    47    48    52    49    50    51    44    45  
   42    43    46    49    44    45  
   43    46    47    48    52    53    54    49    50    51    44    45  
   46    47    48    52    49    50    51    44  
   45    46    49  
    0  
   47    48    52    53    54    55    56    49    50    51  
   48    52    53    54    49  
   52    53    54    49  
   50    51    52  
   51  
    0  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    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   2.4200   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   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  1.522
   33    52   268.000  1.529
   38    39   570.000  1.229
   38    40   317.000  1.522
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    44   320.000  1.410
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   300.000  1.468
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   317.000  1.522
   54    55   656.000  1.250
   54    56   656.000  1.250
   49    50   495.000  1.019
   49    51   495.000  1.019
   44    45   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  110.18000
   29    33    52    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    70.00000  116.00000
   33    52    46    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    42    63.00000  111.10000
   38    40    44    90.00000  109.61100
   40    38    39    80.00000  120.40000
   40    42    43    37.50000  110.70000
   40    42    46    58.35000  112.70000
   40    42    49    80.00000  112.76400
   40    44    45    55.00000  108.50000
   42    40    41    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    58.35000  112.70000
   42    49    50    50.00000  110.30900
   42    49    51    50.00000  110.30900
   46    42    43    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    70.00000  109.69300
   48    46    47    33.00000  107.80000
   52    33    34    37.50000  110.70000
   52    33    38    63.00000  111.10000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    54    55    70.00000  117.00000
   52    54    56    70.00000  117.00000
   54    52    53    35.00000  109.50000
   56    54    55    80.00000  126.00000
   49    42    43    50.00000  110.79000
   49    42    46    80.00000  112.76400
   51    49    50    40.00000  106.77200
   44    40    41    35.00000  109.50000
   44    40    42    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    52    46   0.44750  1.0 1.0
   29    33    52    46  -0.17800 -1.0 2.0
   29    33    52    46   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.60050  1.0 1.0
   33    38    40    42   0.05600 -1.0 2.0
   33    38    40    42   0.26150  1.0 3.0
   33    38    40    44   0.55300  1.0 1.0
   33    38    40    44   1.25850 -1.0 2.0
   33    38    40    44  -0.23600  1.0 3.0
   33    52    54    55   0.41150 -1.0 2.0
   33    52    54    56   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    52    46   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    54  -0.11250  1.0 3.0
   38    33    52    46  -0.95700  1.0 1.0
   38    33    52    46  -0.18200 -1.0 2.0
   38    33    52    46   0.29450  1.0 3.0
   38    33    52    53  -0.11250  1.0 3.0
   38    33    52    54  -0.30950  1.0 1.0
   38    33    52    54   1.11150 -1.0 2.0
   38    33    52    54   0.40350  1.0 3.0
   38    40    42    43  -0.11250  1.0 3.0
   38    40   -42    46  -0.95700  1.0 1.0
   38    40   -42    46  -0.18200 -1.0 2.0
   38    40   -42    46   0.29450  1.0 3.0
   38    40    42    49  -3.56550  1.0 1.0
   38    40    42    49  -0.67500 -1.0 2.0
   38    40    42    49   1.11300  1.0 3.0
   38    40    44    45   0.91850  1.0 1.0
   38    40    44    45   0.57950  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.30150 -1.0 2.0
   39    38    40    44   0.30150 -1.0 2.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    52   0.56750  1.0 1.0
   40    42    46    52  -0.07550 -1.0 2.0
   40    42    46    52   0.20000  1.0 3.0
   40    42    49    50   0.21650  1.0 1.0
   40    42    49    50   0.26250 -1.0 2.0
   40    42    49    50   0.12450  1.0 3.0
   40    42    49    51   0.21650  1.0 1.0
   40    42    49    51   0.26250 -1.0 2.0
   40    42    49    51   0.12450  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    46   0.15000  1.0 3.0
   41    40    42    49   0.15000  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   42    40    44    45  -0.11600  1.0 1.0
   42    40    44    45  -0.09450 -1.0 2.0
   42    40    44    45   0.21250  1.0 3.0
   42    46   -52    33   0.56750  1.0 1.0
   42    46   -52    33  -0.07550 -1.0 2.0
   42    46   -52    33   0.20000  1.0 3.0
   42    46    52    53   0.15000  1.0 3.0
   42    46    52    54  -1.63150  1.0 1.0
   42    46    52    54  -0.43550 -1.0 2.0
   42    46    52    54   0.24500  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.15000  1.0 3.0
   43    42    49    50   0.20000  1.0 3.0
   43    42    49    51   0.20000  1.0 3.0
   46    42    49    50   0.21650  1.0 1.0
   46    42    49    50   0.26250 -1.0 2.0
   46    42    49    50   0.12450  1.0 3.0
   46    42    49    51   0.21650  1.0 1.0
   46    42    49    51   0.26250 -1.0 2.0
   46    42    49    51   0.12450  1.0 3.0
   46    52    54    55   0.41150 -1.0 2.0
   46    52    54    56   0.41150 -1.0 2.0
   47    46    52    33   0.15000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54  -0.11250  1.0 3.0
   48    46    52    33   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    54  -0.11250  1.0 3.0
   52    33    38    39   0.30150 -1.0 2.0
   52    33   -38    40   0.60050  1.0 1.0
   52    33   -38    40   0.05600 -1.0 2.0
   52    33   -38    40   0.26150  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    52   1.85550  1.0 1.0
   49    42    46    52  -0.84100 -1.0 2.0
   44    40    42    43   0.23400  1.0 3.0
   44    40    42    46   0.86500  1.0 1.0
   44    40    42    46  -0.17500 -1.0 2.0
   44    40    42    46   0.20800  1.0 3.0
   44    40    42    49   5.28650  1.0 1.0
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    40    38    39  10.50000 -1.0 2.0
   55    52    54    56  10.50000 -1.0 2.0
END
