* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    101    136     282
    1     0 S   NP   _N1_     1    28.78144    97.33951   -19.77354
    2     1 S   H    _HN1     2     1.02957    72.60335     3.11665
    3     1 S   H    _H1_     3     1.02835    50.33672   134.32912
    4     1 S   H    _H2_     4     1.02778    85.33572  -107.75667
    5     1 S   CT   _CA1     5     1.50121   158.89045   104.76591
    6     5 S   HC   _HA1     6     1.09583   105.19140    83.05296
    7     5 S   CO3  _C1_     7     1.53779   112.43290   -37.01213
    8     7 S   O2Z  _O11     8     1.26359   114.98438   -43.50708
    9     7 S   O2Z  _O12     9     1.26249   114.92397   135.56684
   10     5 S   CT   _CB1    10     1.53106   107.41407  -159.15159
   11    10 S   HC   HB11    11     1.09819   109.22802   -51.66037
   12    10 S   HC   HB12    12     1.09810   110.50225    64.91099
   13    10 S   CT   _CG1    13     1.52946   112.57875  -172.79375
   14    13 S   HC   HG11    14     1.09591   110.34557   -66.19036
   15    13 S   HC   HG12    15     1.09657   109.89393    52.98715
   16    13 S   C    _CD1    16     1.51781   112.57061   173.27124
   17    16 S   O    _OE1    17     1.22738   123.34803    -0.80259
   18    16 S   N    _N2_    18     1.38502   111.57971   179.43007
   19    18 S   H    _HN2    19     1.01627   119.08000     3.22221
   20    18 S   CT1  _CA2    20     1.45862   123.07495   177.41972
   21    20 S   HC   _HA2    21     1.09724   109.03275    24.21553
   22    20 S   C    _C2_    22     1.52942   107.07778   -92.82781
   23    22 S   O    _O2_    23     1.22972   123.15570   -24.91625
   24    20 S   CT   _CB2    32     1.53139   111.75144   147.50840
   25    24 S   HC   HB21    33     1.09437   109.29878    53.47684
   26    24 S   HC   HB22    34     1.09490   110.53037   171.99950
   27    22 S   N    _N3_    24     1.38520   112.50586   157.66270
   28    27 S   H    _HN3    25     1.01653   120.34793    -2.20407
   29    24 S   S    _SG2    35     1.83002   110.68520   -68.29930
   30    27 S   CT   _CA3    26     1.45340   122.46713   178.50041
   31    30 S   HC   HA31    27     1.09569   107.80650   -55.45563
   32    30 S   HC   HA32    28     1.09561   107.61567    60.87637
   33    29 S   CT   _C7_    36     1.84485   100.95126   160.53281
   34    33 S   Cl   Cl3_    37     1.80659   108.03517   177.90716
   35    30 S   CO3  _C3_    29     1.52879   114.33391  -177.40022
   36    35 S   O2Z  _O31    30     1.26335   116.07884    -1.37615
   37    35 S   O2Z  _O32    31     1.26439   114.40454   178.61605
   38    33 S   CM   _C8_    38     1.51995   112.35458    57.67607
   39    38 S   Cl   Cl2_    39     1.73638   118.35720    58.16929
   40    38 S   CM   _C9_    40     1.34268   122.71192  -122.46156
   41    40 S   HC   _H9_    41     1.08458   121.93679  -179.76677
   42    40 S   CM   _C10    42     1.44126   118.85255     0.04423
   43    42 S   Cl   Cl1_    43     1.72341   118.09743   178.78921
   44    42 S   CMA  _C6_    44     1.34755   118.54666    -1.05220
   45    33 S   NM   _N4_    45     1.47608   107.98436   -70.40966
   46    44 S   OS   _O35    46     1.39438   117.60081   179.35745
   47    46 S   P1   _P1_    47     1.62309   129.17528  -177.87772
   48    47 S   ST   _S1_    48     1.94975   117.32522   -66.42613
   49    47 S   OS   _O33    49     1.62743   102.16384    63.26668
   50    47 S   OS   _O34    54     1.62878   100.99180   166.93054
   51    49 S   CT   _C4_    50     1.41684   119.44241   172.46977
   52    51 S   HC   _H3_    51     1.09240   108.58701  -159.07766
   53    51 S   HC   _H4_    52     1.09268   109.56253    81.95994
   54    51 S   HC   _H5_    53     1.09313   110.94256   -39.60198
   55    50 S   CT   _C5_    55     1.41707   119.49986    64.01811
   56    55 S   HC   _H6_    56     1.09286   108.56081  -170.28687
   57    55 S   HC   _H7_    57     1.09264   110.02836    70.74220
   58    55 S   HC   _H8_    58     1.09296   110.59534   -50.96270
  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   7   5   4   3
   9   5   2   1   1   7   4   6   3   5   3   6   2   6  11   4
   6   5   3   2   1   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46  
   38    39    40    44    45  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42    45  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    50  
   46    47  
   47    48    49    51    50    55  
   48    49    51    52    53    54    50    55    56    57    58  
   49    51    50    55  
   51    52    53    54    50    55  
   55    56    57    58    51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58  
   57    58  
   58  
    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   0.330000   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   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   40   3.5500   0.0760  -0.115000   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  -0.499200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5500   0.0760   0.826700   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4200   0.1700  -1.245000   1.9310   1.7100   0.005000000   0.000000000
   46   2.8500   0.1400  -0.273200   1.5900   1.4000   0.020110767  -0.896042159
   47   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   48   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   49   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   50   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.092900   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.092900   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    45   320.000  1.444
   38    39   300.000  1.725
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   380.000  1.444
   42    43   300.000  1.725
   42    44   465.000  1.376
   44    45   500.000  1.344
   44    46   440.000  1.360
   46    47   405.000  1.623
   47    48   270.000  1.959
   47    49   405.000  1.623
   47    50   405.000  1.623
   49    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   50    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    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    45    85.00000  109.00000
   33    38    39    75.00000  111.02000
   33    38    40    70.00000  124.00000
   33    45    44    70.00000  118.22000
   38    33    34    75.00000  111.90500
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  123.01800
   40    38    39    75.00000  121.50000
   40    42    43    75.00000  121.50000
   40    42    44    70.00000  117.34000
   42    40    41    35.00000  120.00000
   42    44    45    65.00000  126.19400
   42    44    46    80.00000  120.01400
   44    42    43    60.00000  123.80000
   44    46    47    80.00000  120.00000
   45    33    34    85.00000  105.00000
   45    33    38    75.00000  116.00000
   46    44    45    65.00000  121.00000
   46    47    48    80.00000  117.31900
   46    47    49   120.00000  102.38000
   46    47    50   120.00000  102.38000
   47    49    51    75.00000  119.24600
   47    50    55    75.00000  119.24600
   49    47    48    80.00000  117.31900
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   50    47    48    80.00000  117.31900
   50    47    49   120.00000  102.38000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.01700  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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  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    45    44   0.00000  1.0 1.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   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    45    44   0.00000  1.0 1.0
   38    33    45    44   0.00000  1.0 1.0
   38    40    42    43  -0.18600  1.0 3.0
   38    40   -42    44   0.28850  1.0 1.0
   38    40   -42    44   2.61350 -1.0 2.0
   38    40   -42    44   0.78400  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44  -0.18600  1.0 3.0
   42    44   -45    33   0.00000  1.0 1.0
   42    44    46    47   2.00000 -1.0 2.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.88300  1.0 1.0
   44    46    47    49   0.16450 -1.0 2.0
   44    46    47    49   0.32850  1.0 3.0
   44    46    47    50   0.88300  1.0 1.0
   44    46    47    50   0.16450 -1.0 2.0
   44    46    47    50   0.32850  1.0 3.0
   45    33    38    39   0.09700  1.0 1.0
   45    33    38    39   0.15600 -1.0 2.0
   45    33    38    39  -0.50800  1.0 3.0
   45    33   -38    40   0.09700  1.0 1.0
   45    33   -38    40   0.15600 -1.0 2.0
   45    33   -38    40  -0.50800  1.0 3.0
   45    44    46    47   2.00000 -1.0 2.0
   46    44    45    33   0.00000  1.0 1.0
   46    47    49    51   0.91800  1.0 1.0
   46    47    49    51   0.22900 -1.0 2.0
   46    47    49    51   0.32050  1.0 3.0
   46    47    50    55   0.91800  1.0 1.0
   46    47    50    55   0.22900 -1.0 2.0
   46    47    50    55   0.32050  1.0 3.0
   47    49    51    52   0.03000  1.0 3.0
   47    49    51    53   0.03000  1.0 3.0
   47    49    51    54   0.03000  1.0 3.0
   47    50    55    56   0.03000  1.0 3.0
   47    50    55    57   0.03000  1.0 3.0
   47    50    55    58   0.03000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    50    55   0.15000  1.0 3.0
   49    47    50    55   0.91800  1.0 1.0
   49    47    50    55   0.22900 -1.0 2.0
   49    47    50    55   0.32050  1.0 3.0
   50    47    49    51   0.91800  1.0 1.0
   50    47    49    51   0.22900 -1.0 2.0
   50    47    49    51   0.32050  1.0 3.0
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
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    46    44    42   1.10000 -1.0 2.0
END
